Product OPENEYE NAME: 2-[3-(3-chlorophenyl)-7-(3-methyl-3,9-diazaspiro[5.5]undecan-9-yl)-1-oxo-pyrrolo[1,2-a]pyrazin-2-yl]-N-isopropyl-acetamide
CAS Name: 2-[3-(3-chlorophenyl)-7-(3-methyl-3,9-diazaspiro[5.5]undecan-9-yl)-1-oxo-2-pyrrolo[1,2-a]pyrazinyl]-N-propan-2-ylacetamide
IUPAC NAME: 2-[3-(3-chlorophenyl)-7-(3-methyl-3,9-diazaspiro[5.5]undecan-9-yl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
SYSTEMATIC NAME: 2-[3-(3-chlorophenyl)-7-(3-methyl-3,9-diazaspiro[5.5]undecan-9-yl)-1-oxidanylidene-pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-yl-ethanamide
MOLECULAR FORMULA: C28H36ClN5O2
MOLECULAR WEIGHT: 510.07074
SMILES: CC(C)NC(=O)CN1C(=CN2C=C(C=C2C1=O)N3CCC4(CCN(CC4)C)CC3)C5=CC(=CC=C5)Cl
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Product OPENEYE NAME: 2-[3-(3-chlorophenyl)-1-oxo-7-[3-(1-piperidyl)propoxy]pyrrolo[1,2-a]pyrazin-2-yl]-N-cyclobutyl-acetamide
CAS Name: 2-[3-(3-chlorophenyl)-1-oxo-7-[3-(1-piperidinyl)propoxy]-2-pyrrolo[1,2-a]pyrazinyl]-N-cyclobutylacetamide
IUPAC NAME: 2-[3-(3-chlorophenyl)-1-oxo-7-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-a]pyrazin-2-yl]-N-cyclobutylacetamide
SYSTEMATIC NAME: 2-[3-(3-chlorophenyl)-1-oxidanylidene-7-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-a]pyrazin-2-yl]-N-cyclobutyl-ethanamide
MOLECULAR FORMULA: C27H33ClN4O3
MOLECULAR WEIGHT: 497.02892
SMILES: C1CCN(CC1)CCCOC2=CN3C=C(N(C(=O)C3=C2)CC(=O)NC4CCC4)C5=CC(=CC=C5)Cl
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Product OPENEYE NAME: 2-[3-(3-chlorophenyl)-7-[2-(1-methyl-2-piperidyl)ethoxy]-1-oxo-pyrrolo[1,2-a]pyrazin-2-yl]-N-isopropyl-acetamide
CAS Name: 2-[3-(3-chlorophenyl)-7-[2-(1-methyl-2-piperidinyl)ethoxy]-1-oxo-2-pyrrolo[1,2-a]pyrazinyl]-N-propan-2-ylacetamide
IUPAC NAME: 2-[3-(3-chlorophenyl)-7-[2-(1-methylpiperidin-2-yl)ethoxy]-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
SYSTEMATIC NAME: 2-[3-(3-chlorophenyl)-7-[2-(1-methylpiperidin-2-yl)ethoxy]-1-oxidanylidene-pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-yl-ethanamide
MOLECULAR FORMULA: C26H33ClN4O3
MOLECULAR WEIGHT: 485.01822
SMILES: CC(C)NC(=O)CN1C(=CN2C=C(C=C2C1=O)OCCC3CCCCN3C)C4=CC(=CC=C4)Cl
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Product OPENEYE NAME: 2-[3-(3-chloro-4-fluoro-phenyl)-1-oxo-7-[3-(1-piperidyl)propoxy]pyrrolo[1,2-a]pyrazin-2-yl]-N-isopropyl-acetamide
CAS Name: 2-[3-(3-chloro-4-fluorophenyl)-1-oxo-7-[3-(1-piperidinyl)propoxy]-2-pyrrolo[1,2-a]pyrazinyl]-N-propan-2-ylacetamide
IUPAC NAME: 2-[3-(3-chloro-4-fluorophenyl)-1-oxo-7-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
SYSTEMATIC NAME: 2-[3-(3-chloranyl-4-fluoranyl-phenyl)-1-oxidanylidene-7-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-yl-ethanamide
MOLECULAR FORMULA: C26H32ClFN4O3
MOLECULAR WEIGHT: 503.008683
SMILES: CC(C)NC(=O)CN1C(=CN2C=C(C=C2C1=O)OCCCN3CCCCC3)C4=CC(=C(C=C4)F)Cl
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Product OPENEYE NAME: (E,2S)-2-amino-5-[5-(4-carbamoyl-5-ureido-2-thienyl)-2-methyl-phenyl]pent-4-enoic acid
CAS Name: (E,2S)-2-amino-5-[5-[4-carbamoyl-5-(carbamoylamino)-2-thiophenyl]-2-methylphenyl]-4-pentenoic acid
IUPAC NAME: (E,2S)-2-amino-5-[5-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]-2-methylphenyl]pent-4-enoic acid
SYSTEMATIC NAME: (E,2S)-5-[5-[4-aminocarbonyl-5-(aminocarbonylamino)thiophen-2-yl]-2-methyl-phenyl]-2-azanyl-pent-4-enoic acid
MOLECULAR FORMULA: C18H20N4O4S
MOLECULAR WEIGHT: 388.4408
SMILES: CC1=C(C=C(C=C1)C2=CC(=C(S2)NC(=O)N)C(=O)N)/C=C/C[C@@H](C(=O)O)N
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Product OPENEYE NAME: (2S)-2-amino-4-[3-(4-carbamoyl-5-ureido-2-thienyl)phenoxy]butanoic acid
CAS Name: (2S)-2-amino-4-[3-[4-carbamoyl-5-(carbamoylamino)-2-thiophenyl]phenoxy]butanoic acid
IUPAC NAME: (2S)-2-amino-4-[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenoxy]butanoic acid
SYSTEMATIC NAME: (2S)-4-[3-[4-aminocarbonyl-5-(aminocarbonylamino)thiophen-2-yl]phenoxy]-2-azanyl-butanoic acid
MOLECULAR FORMULA: C16H18N4O5S
MOLECULAR WEIGHT: 378.40292
SMILES: C1=CC(=CC(=C1)OCC[C@@H](C(=O)O)N)C2=CC(=C(S2)NC(=O)N)C(=O)N
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Product OPENEYE NAME: (2S)-2-[[3-(4-carbamoyl-5-ureido-2-thienyl)phenyl]methylamino]propanoic acid
CAS Name: (2S)-2-[[3-[4-carbamoyl-5-(carbamoylamino)-2-thiophenyl]phenyl]methylamino]propanoic acid
IUPAC NAME: (2S)-2-[[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]methylamino]propanoic acid
SYSTEMATIC NAME: (2S)-2-[[3-[4-aminocarbonyl-5-(aminocarbonylamino)thiophen-2-yl]phenyl]methylamino]propanoic acid
MOLECULAR FORMULA: C16H18N4O4S
MOLECULAR WEIGHT: 362.40352
SMILES: C[C@@H](C(=O)O)NCC1=CC=CC(=C1)C2=CC(=C(S2)NC(=O)N)C(=O)N
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Product OPENEYE NAME: (3R,5R)-3-[[1-methyl-1-[6-(trifluoromethyl)-2-pyridyl]ethyl]amino]-1-[4-(trifluoromethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CAS Name: (3R,5R)-1-[4-(trifluoromethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]-2-pyrrolidinone
IUPAC NAME: (3R,5R)-1-[4-(trifluoromethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-3-[2-[6-(trifluoromethyl)pyridin-2-yl]propan-2-ylamino]pyrrolidin-2-one
SYSTEMATIC NAME: (3R,5R)-1-[4-(trifluoromethyloxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-3-[2-[6-(trifluoromethyl)pyridin-2-yl]propan-2-ylamino]pyrrolidin-2-one
MOLECULAR FORMULA: C27H22F9N3O2
MOLECULAR WEIGHT: 591.468109
SMILES: CC(C)(C1=NC(=CC=C1)C(F)(F)F)N[C@@H]2C[C@@H](N(C2=O)C3=CC=C(C=C3)OC(F)(F)F)C4=CC(=CC=C4)C(F)(F)F
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Product OPENEYE NAME: 2-morpholinoethyl 3-[3-[1-[4-[(1R)-1-hydroxyhexyl]phenyl]-5-oxo-pyrrolidin-2-yl]propyl]thiophene-2-carboxylate
CAS Name: 3-[3-[1-[4-[(1R)-1-hydroxyhexyl]phenyl]-5-oxo-2-pyrrolidinyl]propyl]-2-thiophenecarboxylic acid 2-(4-morpholinyl)ethyl ester
IUPAC NAME: 2-morpholin-4-ylethyl 3-[3-[1-[4-[(1R)-1-hydroxyhexyl]phenyl]-5-oxopyrrolidin-2-yl]propyl]thiophene-2-carboxylate
SYSTEMATIC NAME: 2-morpholin-4-ylethyl 3-[3-[1-[4-[(1R)-1-oxidanylhexyl]phenyl]-5-oxidanylidene-pyrrolidin-2-yl]propyl]thiophene-2-carboxylate
MOLECULAR FORMULA: C30H42N2O5S
MOLECULAR WEIGHT: 542.72988
SMILES: CCCCC[C@H](C1=CC=C(C=C1)N2C(CCC2=O)CCCC3=C(SC=C3)C(=O)OCCN4CCOCC4)O
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Product OPENEYE NAME: (4aR,7aS)-2-amino-7a-(3-chlorophenyl)-6-(5-fluoro-4-methoxy-6-methyl-pyrimidin-2-yl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
CAS Name: (4aR,7aS)-2-amino-7a-(3-chlorophenyl)-6-(5-fluoro-4-methoxy-6-methyl-2-pyrimidinyl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
IUPAC NAME: (4aR,7aS)-2-amino-7a-(3-chlorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
SYSTEMATIC NAME: (4aR,7aS)-2-azanyl-7a-(3-chlorophenyl)-6-(5-fluoranyl-4-methoxy-6-methyl-pyrimidin-2-yl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
MOLECULAR FORMULA: C19H20ClFN6O2
MOLECULAR WEIGHT: 418.852503
SMILES: CC1=C(C(=NC(=N1)N2C[C@H]3C(=O)N(C(=N[C@]3(C2)C4=CC(=CC=C4)Cl)N)C)OC)F
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Product OPENEYE NAME: (4aR,7aS)-2-amino-6-(4-cyclopropyl-5-fluoro-6-methoxy-pyrimidin-2-yl)-7a-(2,5-difluorophenyl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
CAS Name: (4aR,7aS)-2-amino-6-(4-cyclopropyl-5-fluoro-6-methoxy-2-pyrimidinyl)-7a-(2,5-difluorophenyl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
IUPAC NAME: (4aR,7aS)-2-amino-6-(4-cyclopropyl-5-fluoro-6-methoxypyrimidin-2-yl)-7a-(2,5-difluorophenyl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
SYSTEMATIC NAME: (4aR,7aS)-2-azanyl-7a-[2,5-bis(fluoranyl)phenyl]-6-(4-cyclopropyl-5-fluoranyl-6-methoxy-pyrimidin-2-yl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
MOLECULAR FORMULA: C21H21F3N6O2
MOLECULAR WEIGHT: 446.42565
SMILES: CN1C(=O)[C@@H]2CN(C[C@@]2(N=C1N)C3=C(C=CC(=C3)F)F)C4=NC(=C(C(=N4)OC)F)C5CC5
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Product OPENEYE NAME: (4aR,7aS)-2-amino-6-(5-chloro-4-cyclopropyl-6-methoxy-pyrimidin-2-yl)-7a-(2,5-difluorophenyl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
CAS Name: (4aR,7aS)-2-amino-6-(5-chloro-4-cyclopropyl-6-methoxy-2-pyrimidinyl)-7a-(2,5-difluorophenyl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
IUPAC NAME: (4aR,7aS)-2-amino-6-(5-chloro-4-cyclopropyl-6-methoxypyrimidin-2-yl)-7a-(2,5-difluorophenyl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
SYSTEMATIC NAME: (4aR,7aS)-2-azanyl-7a-[2,5-bis(fluoranyl)phenyl]-6-(5-chloranyl-4-cyclopropyl-6-methoxy-pyrimidin-2-yl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
MOLECULAR FORMULA: C21H21ClF2N6O2
MOLECULAR WEIGHT: 462.880246
SMILES: CN1C(=O)[C@@H]2CN(C[C@@]2(N=C1N)C3=C(C=CC(=C3)F)F)C4=NC(=C(C(=N4)OC)Cl)C5CC5
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Product OPENEYE NAME: 3-[(4aR,7aS)-2-amino-6-(5-fluoro-4-methoxy-6-methyl-pyrimidin-2-yl)-3-methyl-4-oxo-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]benzonitrile
CAS Name: 3-[(4aR,7aS)-2-amino-6-(5-fluoro-4-methoxy-6-methyl-2-pyrimidinyl)-3-methyl-4-oxo-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]benzonitrile
IUPAC NAME: 3-[(4aR,7aS)-2-amino-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-3-methyl-4-oxo-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]benzonitrile
SYSTEMATIC NAME: 3-[(4aR,7aS)-2-azanyl-6-(5-fluoranyl-4-methoxy-6-methyl-pyrimidin-2-yl)-3-methyl-4-oxidanylidene-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]benzenecarbonitrile
MOLECULAR FORMULA: C20H20FN7O2
MOLECULAR WEIGHT: 409.416903
SMILES: CC1=C(C(=NC(=N1)N2C[C@H]3C(=O)N(C(=N[C@]3(C2)C4=CC=CC(=C4)C#N)N)C)OC)F
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Product OPENEYE NAME: (4aR,7aS)-2-amino-6-(4-cyclopropyl-5-fluoro-6-methyl-pyrimidin-2-yl)-7a-(2,5-difluorophenyl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
CAS Name: (4aR,7aS)-2-amino-6-(4-cyclopropyl-5-fluoro-6-methyl-2-pyrimidinyl)-7a-(2,5-difluorophenyl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
IUPAC NAME: (4aR,7aS)-2-amino-6-(4-cyclopropyl-5-fluoro-6-methylpyrimidin-2-yl)-7a-(2,5-difluorophenyl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
SYSTEMATIC NAME: (4aR,7aS)-2-azanyl-7a-[2,5-bis(fluoranyl)phenyl]-6-(4-cyclopropyl-5-fluoranyl-6-methyl-pyrimidin-2-yl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
MOLECULAR FORMULA: C21H21F3N6O
MOLECULAR WEIGHT: 430.42625
SMILES: CC1=NC(=NC(=C1F)C2CC2)N3C[C@H]4C(=O)N(C(=N[C@]4(C3)C5=C(C=CC(=C5)F)F)N)C
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Product OPENEYE NAME: (4aR,7aS)-2-amino-6-(4-cyclopropyl-5-fluoro-6-methoxy-pyrimidin-2-yl)-7a-(2,4-difluorophenyl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
CAS Name: (4aR,7aS)-2-amino-6-(4-cyclopropyl-5-fluoro-6-methoxy-2-pyrimidinyl)-7a-(2,4-difluorophenyl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
IUPAC NAME: (4aR,7aS)-2-amino-6-(4-cyclopropyl-5-fluoro-6-methoxypyrimidin-2-yl)-7a-(2,4-difluorophenyl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
SYSTEMATIC NAME: (4aR,7aS)-2-azanyl-7a-[2,4-bis(fluoranyl)phenyl]-6-(4-cyclopropyl-5-fluoranyl-6-methoxy-pyrimidin-2-yl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
MOLECULAR FORMULA: C21H21F3N6O2
MOLECULAR WEIGHT: 446.42565
SMILES: CN1C(=O)[C@@H]2CN(C[C@@]2(N=C1N)C3=C(C=C(C=C3)F)F)C4=NC(=C(C(=N4)OC)F)C5CC5
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Product OPENEYE NAME: N-[3-[2-amino-7-methoxy-8-(2-piperazin-1-yl-4-pyridyl)quinazolin-6-yl]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide
CAS Name: N-[3-[2-amino-7-methoxy-8-[2-(1-piperazinyl)-4-pyridinyl]-6-quinazolinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
IUPAC NAME: N-[3-[2-amino-7-methoxy-8-(2-piperazin-1-ylpyridin-4-yl)quinazolin-6-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
SYSTEMATIC NAME: N-[3-[2-azanyl-7-methoxy-8-(2-piperazin-1-ylpyridin-4-yl)quinazolin-6-yl]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide
MOLECULAR FORMULA: C33H30F3N7O2
MOLECULAR WEIGHT: 613.63221
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C3=C(C(=C4C(=C3)C=NC(=N4)N)C5=CC(=NC=C5)N6CCNCC6)OC
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Product OPENEYE NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]butanedioic acid
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]butanedioic acid
IUPAC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]butanedioic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]butanedioic acid
MOLECULAR FORMULA: C33H44N6O10
MOLECULAR WEIGHT: 684.73666
SMILES: C[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
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Product OPENEYE NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]butanedioic acid
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]butanedioic acid
IUPAC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]butanedioic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]butanedioic acid
MOLECULAR FORMULA: C33H44N6O10
MOLECULAR WEIGHT: 684.73666
SMILES: C[C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
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CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H28O3
MOLECULAR WEIGHT: 352.46662
SMILES: C[C@]12CCC(=O)C=C1C=CC3C2CC[C@]4(C3[C@@H]5C[C@@H]5[C@@]46CCC(=O)O6)C
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Product OPENEYE NAME: 3-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]propan-1-ol
CAS Name: 3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propanol
IUPAC NAME: 3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-1-ol
SYSTEMATIC NAME: 3-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxypropan-1-ol
MOLECULAR FORMULA: C13H26O2
MOLECULAR WEIGHT: 214.34434
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OCCCO)C(C)C
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Product OPENEYE NAME: 3-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-2-methyl-propane-1,2-diol
CAS Name: 2-methyl-3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypropane-1,2-diol
IUPAC NAME: 2-methyl-3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypropane-1,2-diol
SYSTEMATIC NAME: 2-methyl-3-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-propane-1,2-diol
MOLECULAR FORMULA: C14H28O3
MOLECULAR WEIGHT: 244.37032
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OCC(C)(CO)O)C(C)C
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