Product OPENEYE NAME: (4S)-4-[[(2S)-2-[[2-[[4-[3-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]prop-1-ynyl]benzoyl]amino]acetyl]amino]-3-(4-phosphonooxyphenyl)p
CAS Name: (4S)-4-[[(2S)-2-[[2-[[[4-[3-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-acetamido-1-oxo-3-(4-phosphonooxyphenyl)propyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]prop-1-ynyl]phenyl]-oxomethyl]amino]-1-oxoethyl
IUPAC NAME: (4S)-4-[[(2S)-2-[[2-[[4-[3-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]acetyl]amino]prop-1-ynyl]benzoyl]amino]acetyl]amino]-3-(4-phosphonooxyphenyl)pro
SYSTEMATIC NAME: (4S)-4-[[(2S)-2-[2-[[4-[3-[2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]ethanoylamino]prop-1-ynyl]phenyl]carbonylamino]ethanoylamino]-3-(4-phosphonooxy
MOLECULAR FORMULA: C61H84N12O24P2
MOLECULAR WEIGHT: 1431.333182
SMILES: CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](C(C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)OP(=O)(O)O)NC(=O)CNC(=O)C2=CC=C(C=C2)C#CCNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C(C)O)NC(=O)[C@H](CC3=CC=C(C=C3)OP(=O)(O)O)NC(=O)C
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Product OPENEYE NAME: (4S)-4-[[(2S)-2-[[2-[2-[2-[2-[2-[2-[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3-(4-phosphonoo
CAS Name: (4S)-4-[[(2S)-2-[[2-[2-[2-[2-[2-[2-[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-acetamido-1-oxo-3-(4-phosphonooxyphenyl)propyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-oxoethyl]amino
IUPAC NAME: (4S)-4-[[(2S)-2-[[2-[2-[2-[2-[2-[2-[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3-(4-phosphonooxy
SYSTEMATIC NAME: (4S)-4-[[(2S)-2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanoylamino]-3-(4-phosphono
MOLECULAR FORMULA: C61H98N10O28P2
MOLECULAR WEIGHT: 1481.428542
SMILES: CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](C(C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)OP(=O)(O)O)NC(=O)COCCOCCOCCOCCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C(C)O)NC(=O)[C@H](CC2=CC=C(C=C2)OP(=O)(O)O)NC(=O)C
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Product OPENEYE NAME: N-[[(2R)-1-butylpyrrolidin-2-yl]methyl]-6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CAS Name: N-[[(2R)-1-butyl-2-pyrrolidinyl]methyl]-6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
IUPAC NAME: N-[[(2R)-1-butylpyrrolidin-2-yl]methyl]-6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SYSTEMATIC NAME: N-[[(2R)-1-butylpyrrolidin-2-yl]methyl]-6-chloranyl-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
MOLECULAR FORMULA: C19H28ClN3O2
MOLECULAR WEIGHT: 365.89752
SMILES: CCCCN1CCC[C@@H]1CNC(=O)C2=CC(=CC3=C2OCCN3C)Cl
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Product OPENEYE NAME: (E)-3-cyclohex-3-en-1-yl-N-methyl-N-(1-naphthylmethyl)prop-2-en-1-amine
CAS Name: (E)-3-(1-cyclohex-3-enyl)-N-methyl-N-(1-naphthalenylmethyl)-2-propen-1-amine
IUPAC NAME: (E)-3-cyclohex-3-en-1-yl-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine
SYSTEMATIC NAME: (E)-3-cyclohex-3-en-1-yl-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine
MOLECULAR FORMULA: C21H25N
MOLECULAR WEIGHT: 291.4299
SMILES: CN(C/C=C/C1CCC=CC1)CC2=CC=CC3=CC=CC=C32
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Product OPENEYE NAME: 1-(2-benzyloxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-5-iodo-pyrimidine-2,4-dione
CAS Name: 5-iodo-1-(2-oxo-2-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-6-yl)pyrimidine-2,4-dione
IUPAC NAME: 5-iodo-1-(2-oxo-2-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-iodanyl-1-(2-oxidanylidene-2-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C16H16IN2O7P
MOLECULAR WEIGHT: 506.185671
SMILES: C1C2C(COP(=O)(O2)OCC3=CC=CC=C3)OC1N4C=C(C(=O)NC4=O)I
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Product OPENEYE NAME: 5-[(E)-[[3-[(N'-tert-butyl-N-cyano-carbamimidoyl)amino]phenyl]-(3-pyridyl)methylene]amino]oxypentanoic acid
CAS Name: 5-[(E)-[[3-[[tert-butylimino-(cyanoamino)methyl]amino]phenyl]-(3-pyridinyl)methylidene]amino]oxypentanoic acid
IUPAC NAME: 5-[(E)-[[3-[(N'-tert-butyl-N-cyanocarbamimidoyl)amino]phenyl]-pyridin-3-ylmethylidene]amino]oxypentanoic acid
SYSTEMATIC NAME: 5-[(E)-[[3-[(N'-tert-butyl-N-cyano-carbamimidoyl)amino]phenyl]-pyridin-3-yl-methylidene]amino]oxypentanoic acid
MOLECULAR FORMULA: C23H28N6O3
MOLECULAR WEIGHT: 436.50682
SMILES: CC(C)(C)N=C(NC#N)NC1=CC=CC(=C1)/C(=N\OCCCCC(=O)O)/C2=CN=CC=C2
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Product OPENEYE NAME: N-[(E)-cinnamyl]-N-(1-naphthylmethyl)acetamide
CAS Name: N-(1-naphthalenylmethyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
IUPAC NAME: N-(naphthalen-1-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
SYSTEMATIC NAME: N-(naphthalen-1-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]ethanamide
MOLECULAR FORMULA: C22H21NO
MOLECULAR WEIGHT: 315.40824
SMILES: CC(=O)N(C/C=C/C1=CC=CC=C1)CC2=CC=CC3=CC=CC=C32
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Product OPENEYE NAME: 5-hexyl-2-hydroxy-N-[(4-methyl-3-nitro-phenyl)methyl]benzamide
CAS Name: 5-hexyl-2-hydroxy-N-[(4-methyl-3-nitrophenyl)methyl]benzamide
IUPAC NAME: 5-hexyl-2-hydroxy-N-[(4-methyl-3-nitrophenyl)methyl]benzamide
SYSTEMATIC NAME: 5-hexyl-N-[(4-methyl-3-nitro-phenyl)methyl]-2-oxidanyl-benzamide
MOLECULAR FORMULA: C21H26N2O4
MOLECULAR WEIGHT: 370.44214
SMILES: CCCCCCC1=CC(=C(C=C1)O)C(=O)NCC2=CC(=C(C=C2)C)[N+](=O)[O-]
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Product OPENEYE NAME: 3,5-dibromo-2-hydroxy-N-(3-methyl-2-pyridyl)benzamide
CAS Name: 3,5-dibromo-2-hydroxy-N-(3-methyl-2-pyridinyl)benzamide
IUPAC NAME: 3,5-dibromo-2-hydroxy-N-(3-methylpyridin-2-yl)benzamide
SYSTEMATIC NAME: 3,5-bis(bromanyl)-N-(3-methylpyridin-2-yl)-2-oxidanyl-benzamide
MOLECULAR FORMULA: C13H10Br2N2O2
MOLECULAR WEIGHT: 386.0387
SMILES: CC1=C(N=CC=C1)NC(=O)C2=CC(=CC(=C2O)Br)Br
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Product OPENEYE NAME: 3,5-dibromo-N-(4,6-dimethyl-2-pyridyl)-2-hydroxy-benzamide
CAS Name: 3,5-dibromo-N-(4,6-dimethyl-2-pyridinyl)-2-hydroxybenzamide
IUPAC NAME: 3,5-dibromo-N-(4,6-dimethylpyridin-2-yl)-2-hydroxybenzamide
SYSTEMATIC NAME: 3,5-bis(bromanyl)-N-(4,6-dimethylpyridin-2-yl)-2-oxidanyl-benzamide
MOLECULAR FORMULA: C14H12Br2N2O2
MOLECULAR WEIGHT: 400.06528
SMILES: CC1=CC(=NC(=C1)NC(=O)C2=CC(=CC(=C2O)Br)Br)C
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Product OPENEYE NAME: N-[(E)-cinnamyl]-N-methyl-tetralin-1-amine
CAS Name: N-methyl-N-[(E)-3-phenylprop-2-enyl]-1,2,3,4-tetrahydronaphthalen-1-amine
IUPAC NAME: N-methyl-N-[(E)-3-phenylprop-2-enyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SYSTEMATIC NAME: N-methyl-N-[(E)-3-phenylprop-2-enyl]-1,2,3,4-tetrahydronaphthalen-1-amine
MOLECULAR FORMULA: C20H23N
MOLECULAR WEIGHT: 277.40332
SMILES: CN(C/C=C/C1=CC=CC=C1)C2CCCC3=CC=CC=C23
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Product OPENEYE NAME: 3,5-dibromo-N-(4,6-dimethylpyrimidin-2-yl)-2-hydroxy-benzamide
CAS Name: 3,5-dibromo-N-(4,6-dimethyl-2-pyrimidinyl)-2-hydroxybenzamide
IUPAC NAME: 3,5-dibromo-N-(4,6-dimethylpyrimidin-2-yl)-2-hydroxybenzamide
SYSTEMATIC NAME: 3,5-bis(bromanyl)-N-(4,6-dimethylpyrimidin-2-yl)-2-oxidanyl-benzamide
MOLECULAR FORMULA: C13H11Br2N3O2
MOLECULAR WEIGHT: 401.05334
SMILES: CC1=CC(=NC(=N1)NC(=O)C2=CC(=CC(=C2O)Br)Br)C
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Product OPENEYE NAME: (E)-N-methyl-3-phenyl-N-(4-quinolylmethyl)prop-2-en-1-amine
CAS Name: (E)-N-methyl-3-phenyl-N-(4-quinolinylmethyl)-2-propen-1-amine
IUPAC NAME: (E)-N-methyl-3-phenyl-N-(quinolin-4-ylmethyl)prop-2-en-1-amine
SYSTEMATIC NAME: (E)-N-methyl-3-phenyl-N-(quinolin-4-ylmethyl)prop-2-en-1-amine
MOLECULAR FORMULA: C20H20N2
MOLECULAR WEIGHT: 288.3862
SMILES: CN(C/C=C/C1=CC=CC=C1)CC2=CC=NC3=CC=CC=C23
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Product OPENEYE NAME: N-[(E)-cinnamyl]-N-(1-naphthylmethyl)hydroxylamine
CAS Name: N-(1-naphthalenylmethyl)-N-[(E)-3-phenylprop-2-enyl]hydroxylamine
IUPAC NAME: N-(naphthalen-1-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]hydroxylamine
SYSTEMATIC NAME: N-(naphthalen-1-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]hydroxylamine
MOLECULAR FORMULA: C20H19NO
MOLECULAR WEIGHT: 289.37096
SMILES: C1=CC=C(C=C1)/C=C/CN(CC2=CC=CC3=CC=CC=C32)O
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Product OPENEYE NAME: (E)-N-(1-naphthylmethyl)-3-phenyl-prop-2-en-1-imine
CAS Name: (E)-N-(1-naphthalenylmethyl)-3-phenyl-2-propen-1-imine
IUPAC NAME: (E)-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-imine
SYSTEMATIC NAME: (E)-N-(naphthalen-1-ylmethyl)-3-phenyl-prop-2-en-1-imine
MOLECULAR FORMULA: C20H17N
MOLECULAR WEIGHT: 271.35568
SMILES: C1=CC=C(C=C1)/C=C/C=NCC2=CC=CC3=CC=CC=C32
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Product OPENEYE NAME: [(E)-cinnamyl]-dimethyl-(1-naphthylmethyl)ammonium iodide
CAS Name: dimethyl-(1-naphthalenylmethyl)-[(E)-3-phenylprop-2-enyl]ammonium iodide
IUPAC NAME: dimethyl-(naphthalen-1-ylmethyl)-[(E)-3-phenylprop-2-enyl]azanium iodide
SYSTEMATIC NAME: dimethyl-(naphthalen-1-ylmethyl)-[(E)-3-phenylprop-2-enyl]azanium iodide
MOLECULAR FORMULA: C22H24IN
MOLECULAR WEIGHT: 429.33713
SMILES: C[N+](C)(C/C=C/C1=CC=CC=C1)CC2=CC=CC3=CC=CC=C32.[I-]
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Product OPENEYE NAME: 3-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CAS Name: 3-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
IUPAC NAME: 3-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SYSTEMATIC NAME: 3-[2-[4-(5-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
MOLECULAR FORMULA: C23H27FN4O2
MOLECULAR WEIGHT: 410.484483
SMILES: CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=C(C=C5)F
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Product OPENEYE NAME: (E)-N-methyl-3-(1-naphthyl)-N-(1-naphthylmethyl)prop-2-en-1-amine
CAS Name: (E)-N-methyl-3-(1-naphthalenyl)-N-(1-naphthalenylmethyl)-2-propen-1-amine
IUPAC NAME: (E)-N-methyl-3-naphthalen-1-yl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine
SYSTEMATIC NAME: (E)-N-methyl-3-naphthalen-1-yl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine
MOLECULAR FORMULA: C25H23N
MOLECULAR WEIGHT: 337.45682
SMILES: CN(C/C=C/C1=CC=CC2=CC=CC=C21)CC3=CC=CC4=CC=CC=C43
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Product OPENEYE NAME: (E)-N-methyl-N-(1-naphthylmethyl)-3-(2-pyridyl)prop-2-en-1-amine
CAS Name: (E)-N-methyl-N-(1-naphthalenylmethyl)-3-(2-pyridinyl)-2-propen-1-amine
IUPAC NAME: (E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-pyridin-2-ylprop-2-en-1-amine
SYSTEMATIC NAME: (E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-pyridin-2-yl-prop-2-en-1-amine
MOLECULAR FORMULA: C20H20N2
MOLECULAR WEIGHT: 288.3862
SMILES: CN(C/C=C/C1=CC=CC=N1)CC2=CC=CC3=CC=CC=C32
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Product OPENEYE NAME: [5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphate
CAS Name: [5-[2,4-dioxo-5-(trifluoromethyl)-1-pyrimidinyl]-3-hydroxy-2-oxolanyl]methyl phosphate
IUPAC NAME: [5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl phosphate
SYSTEMATIC NAME: [5-[2,4-bis(oxidanylidene)-5-(trifluoromethyl)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl phosphate
MOLECULAR FORMULA: C10H10F3N2O8P-2
MOLECULAR WEIGHT: 374.163971
SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)C(F)(F)F)COP(=O)([O-])[O-])O
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Product OPENEYE NAME: ethyl (2E,4E)-6-[methyl(1-naphthylmethyl)amino]hexa-2,4-dienoate
CAS Name: (2E,4E)-6-[methyl(1-naphthalenylmethyl)amino]hexa-2,4-dienoic acid ethyl ester
IUPAC NAME: ethyl (2E,4E)-6-[methyl(naphthalen-1-ylmethyl)amino]hexa-2,4-dienoate
SYSTEMATIC NAME: ethyl (2E,4E)-6-[methyl(naphthalen-1-ylmethyl)amino]hexa-2,4-dienoate
MOLECULAR FORMULA: C20H23NO2
MOLECULAR WEIGHT: 309.40212
SMILES: CCOC(=O)/C=C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21
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Product OPENEYE NAME: 5-iodo-1-(2-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)pyrimidine-2,4-dione
CAS Name: 5-iodo-1-(2-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-6-yl)pyrimidine-2,4-dione
IUPAC NAME: 5-iodo-1-(2-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-iodanyl-1-(2-methoxy-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H12IN2O7P
MOLECULAR WEIGHT: 430.089711
SMILES: COP1(=O)OCC2C(O1)CC(O2)N3C=C(C(=O)NC3=O)I
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