Wednesday, June 19, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-[(3R)-1-benzylpiperidin-1-ium-3-yl]-2-methoxy-benzamide
CAS Name: 2-methoxy-N-[(3R)-1-(phenylmethyl)-3-piperidin-1-iumyl]benzamide
IUPAC NAME: N-[(3R)-1-benzylpiperidin-1-ium-3-yl]-2-methoxybenzamide
SYSTEMATIC NAME: 2-methoxy-N-[(3R)-1-(phenylmethyl)piperidin-1-ium-3-yl]benzamide
MOLECULAR FORMULA: C20H25N2O2+
MOLECULAR WEIGHT: 325.4247
SMILES: COC1=CC=CC=C1C(=O)N[C@@H]2CCC[NH+](C2)CC3=CC=CC=C3
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Product OPENEYE NAME: N-[(3R)-1-benzyl-3-piperidyl]-2-methoxy-benzamide
CAS Name: 2-methoxy-N-[(3R)-1-(phenylmethyl)-3-piperidinyl]benzamide
IUPAC NAME: N-[(3R)-1-benzylpiperidin-3-yl]-2-methoxybenzamide
SYSTEMATIC NAME: 2-methoxy-N-[(3R)-1-(phenylmethyl)piperidin-3-yl]benzamide
MOLECULAR FORMULA: C20H24N2O2
MOLECULAR WEIGHT: 324.41676
SMILES: COC1=CC=CC=C1C(=O)N[C@@H]2CCCN(C2)CC3=CC=CC=C3
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Product OPENEYE NAME: [(8S,9S,10S,13S,14S)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl] undec-10-enoate
CAS Name: 10-undecenoic acid [(8S,9S,10S,13S,14S)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl] ester
IUPAC NAME: [(8S,9S,10S,13S,14S)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl] undec-10-enoate
SYSTEMATIC NAME: [(8S,9S,10S,13S,14S)-10,13-dimethyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl] undec-10-enoate
MOLECULAR FORMULA: C30H44O3
MOLECULAR WEIGHT: 452.66856
SMILES: C[C@@]12CCC[C@H]1[C@@H]3CCC4=CC(=O)C(=C[C@@]4([C@H]3CC2)C)OC(=O)CCCCCCCCC=C
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Product OPENEYE NAME: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-2-methoxy-benzamide
CAS Name: 2-methoxy-N-[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]benzamide
IUPAC NAME: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-2-methoxybenzamide
SYSTEMATIC NAME: 2-methoxy-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]benzamide
MOLECULAR FORMULA: C20H25N2O2+
MOLECULAR WEIGHT: 325.4247
SMILES: COC1=CC=CC=C1C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=CC=C3
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Product OPENEYE NAME: N-[(3S)-1-benzyl-3-piperidyl]-2-methoxy-benzamide
CAS Name: 2-methoxy-N-[(3S)-1-(phenylmethyl)-3-piperidinyl]benzamide
IUPAC NAME: N-[(3S)-1-benzylpiperidin-3-yl]-2-methoxybenzamide
SYSTEMATIC NAME: 2-methoxy-N-[(3S)-1-(phenylmethyl)piperidin-3-yl]benzamide
MOLECULAR FORMULA: C20H24N2O2
MOLECULAR WEIGHT: 324.41676
SMILES: COC1=CC=CC=C1C(=O)N[C@H]2CCCN(C2)CC3=CC=CC=C3
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Product OPENEYE NAME: N-[(3R)-1-benzylpiperidin-1-ium-3-yl]-2-chloro-benzamide
CAS Name: 2-chloro-N-[(3R)-1-(phenylmethyl)-3-piperidin-1-iumyl]benzamide
IUPAC NAME: N-[(3R)-1-benzylpiperidin-1-ium-3-yl]-2-chlorobenzamide
SYSTEMATIC NAME: 2-chloranyl-N-[(3R)-1-(phenylmethyl)piperidin-1-ium-3-yl]benzamide
MOLECULAR FORMULA: C19H22ClN2O+
MOLECULAR WEIGHT: 329.84378
SMILES: C1C[C@H](C[NH+](C1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl
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Product OPENEYE NAME: N-[(3R)-1-benzyl-3-piperidyl]-2-chloro-benzamide
CAS Name: 2-chloro-N-[(3R)-1-(phenylmethyl)-3-piperidinyl]benzamide
IUPAC NAME: N-[(3R)-1-benzylpiperidin-3-yl]-2-chlorobenzamide
SYSTEMATIC NAME: 2-chloranyl-N-[(3R)-1-(phenylmethyl)piperidin-3-yl]benzamide
MOLECULAR FORMULA: C19H21ClN2O
MOLECULAR WEIGHT: 328.83584
SMILES: C1C[C@H](CN(C1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl
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Product OPENEYE NAME: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-2-chloro-benzamide
CAS Name: 2-chloro-N-[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]benzamide
IUPAC NAME: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-2-chlorobenzamide
SYSTEMATIC NAME: 2-chloranyl-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]benzamide
MOLECULAR FORMULA: C19H22ClN2O+
MOLECULAR WEIGHT: 329.84378
SMILES: C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl
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Product OPENEYE NAME: N-[(3S)-1-benzyl-3-piperidyl]-2-chloro-benzamide
CAS Name: 2-chloro-N-[(3S)-1-(phenylmethyl)-3-piperidinyl]benzamide
IUPAC NAME: N-[(3S)-1-benzylpiperidin-3-yl]-2-chlorobenzamide
SYSTEMATIC NAME: 2-chloranyl-N-[(3S)-1-(phenylmethyl)piperidin-3-yl]benzamide
MOLECULAR FORMULA: C19H21ClN2O
MOLECULAR WEIGHT: 328.83584
SMILES: C1C[C@@H](CN(C1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl
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Product OPENEYE NAME: N-[(3R)-1-benzylpiperidin-1-ium-3-yl]-2-(4-nitrophenoxy)acetamide
CAS Name: 2-(4-nitrophenoxy)-N-[(3R)-1-(phenylmethyl)-3-piperidin-1-iumyl]acetamide
IUPAC NAME: N-[(3R)-1-benzylpiperidin-1-ium-3-yl]-2-(4-nitrophenoxy)acetamide
SYSTEMATIC NAME: 2-(4-nitrophenoxy)-N-[(3R)-1-(phenylmethyl)piperidin-1-ium-3-yl]ethanamide
MOLECULAR FORMULA: C20H24N3O4+
MOLECULAR WEIGHT: 370.42226
SMILES: C1C[C@H](C[NH+](C1)CC2=CC=CC=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: N-[(3R)-1-benzyl-3-piperidyl]-2-(4-nitrophenoxy)acetamide
CAS Name: 2-(4-nitrophenoxy)-N-[(3R)-1-(phenylmethyl)-3-piperidinyl]acetamide
IUPAC NAME: N-[(3R)-1-benzylpiperidin-3-yl]-2-(4-nitrophenoxy)acetamide
SYSTEMATIC NAME: 2-(4-nitrophenoxy)-N-[(3R)-1-(phenylmethyl)piperidin-3-yl]ethanamide
MOLECULAR FORMULA: C20H23N3O4
MOLECULAR WEIGHT: 369.41432
SMILES: C1C[C@H](CN(C1)CC2=CC=CC=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-2-(4-nitrophenoxy)acetamide
CAS Name: 2-(4-nitrophenoxy)-N-[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]acetamide
IUPAC NAME: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-2-(4-nitrophenoxy)acetamide
SYSTEMATIC NAME: 2-(4-nitrophenoxy)-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]ethanamide
MOLECULAR FORMULA: C20H24N3O4+
MOLECULAR WEIGHT: 370.42226
SMILES: C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: N-[(3S)-1-benzyl-3-piperidyl]-2-(4-nitrophenoxy)acetamide
CAS Name: 2-(4-nitrophenoxy)-N-[(3S)-1-(phenylmethyl)-3-piperidinyl]acetamide
IUPAC NAME: N-[(3S)-1-benzylpiperidin-3-yl]-2-(4-nitrophenoxy)acetamide
SYSTEMATIC NAME: 2-(4-nitrophenoxy)-N-[(3S)-1-(phenylmethyl)piperidin-3-yl]ethanamide
MOLECULAR FORMULA: C20H23N3O4
MOLECULAR WEIGHT: 369.41432
SMILES: C1C[C@@H](CN(C1)CC2=CC=CC=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: N-[(3R)-1-benzylpiperidin-1-ium-3-yl]-4-(2-thienyl)butanamide
CAS Name: N-[(3R)-1-(phenylmethyl)-3-piperidin-1-iumyl]-4-thiophen-2-ylbutanamide
IUPAC NAME: N-[(3R)-1-benzylpiperidin-1-ium-3-yl]-4-thiophen-2-ylbutanamide
SYSTEMATIC NAME: N-[(3R)-1-(phenylmethyl)piperidin-1-ium-3-yl]-4-thiophen-2-yl-butanamide
MOLECULAR FORMULA: C20H27N2OS+
MOLECULAR WEIGHT: 343.50618
SMILES: C1C[C@H](C[NH+](C1)CC2=CC=CC=C2)NC(=O)CCCC3=CC=CS3
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Product OPENEYE NAME: N-[(3R)-1-benzyl-3-piperidyl]-4-(2-thienyl)butanamide
CAS Name: N-[(3R)-1-(phenylmethyl)-3-piperidinyl]-4-thiophen-2-ylbutanamide
IUPAC NAME: N-[(3R)-1-benzylpiperidin-3-yl]-4-thiophen-2-ylbutanamide
SYSTEMATIC NAME: N-[(3R)-1-(phenylmethyl)piperidin-3-yl]-4-thiophen-2-yl-butanamide
MOLECULAR FORMULA: C20H26N2OS
MOLECULAR WEIGHT: 342.49824
SMILES: C1C[C@H](CN(C1)CC2=CC=CC=C2)NC(=O)CCCC3=CC=CS3
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Product OPENEYE NAME: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-4-(2-thienyl)butanamide
CAS Name: N-[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]-4-thiophen-2-ylbutanamide
IUPAC NAME: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-4-thiophen-2-ylbutanamide
SYSTEMATIC NAME: N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]-4-thiophen-2-yl-butanamide
MOLECULAR FORMULA: C20H27N2OS+
MOLECULAR WEIGHT: 343.50618
SMILES: C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2)NC(=O)CCCC3=CC=CS3
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Product OPENEYE NAME: N-[(3S)-1-benzyl-3-piperidyl]-4-(2-thienyl)butanamide
CAS Name: N-[(3S)-1-(phenylmethyl)-3-piperidinyl]-4-thiophen-2-ylbutanamide
IUPAC NAME: N-[(3S)-1-benzylpiperidin-3-yl]-4-thiophen-2-ylbutanamide
SYSTEMATIC NAME: N-[(3S)-1-(phenylmethyl)piperidin-3-yl]-4-thiophen-2-yl-butanamide
MOLECULAR FORMULA: C20H26N2OS
MOLECULAR WEIGHT: 342.49824
SMILES: C1C[C@@H](CN(C1)CC2=CC=CC=C2)NC(=O)CCCC3=CC=CS3
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Product OPENEYE NAME: 2-[(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]acetate
CAS Name: 2-[(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]acetate
IUPAC NAME: 2-[(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]acetate
SYSTEMATIC NAME: 2-[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-oxidanyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanoate
MOLECULAR FORMULA: C21H29O4-
MOLECULAR WEIGHT: 345.45256
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(CC(=O)[O-])O)C
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Product OPENEYE NAME: N-[(4-carbamoyltetrahydropyran-4-yl)methyl]-3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide
CAS Name: N-[(4-carbamoyl-4-oxanyl)methyl]-3-(4-methoxyphenyl)-1-phenyl-4-pyrazolecarboxamide
IUPAC NAME: N-[(4-carbamoyloxan-4-yl)methyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SYSTEMATIC NAME: N-[(4-aminocarbonyloxan-4-yl)methyl]-3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C24H26N4O4
MOLECULAR WEIGHT: 434.48764
SMILES: COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NCC3(CCOCC3)C(=O)N)C4=CC=CC=C4
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Product OPENEYE NAME: diaminomethylene-[(4S)-5-methoxy-4-nitramido-5-oxo-pentyl]ammonium
CAS Name: diaminomethylidene-[(4S)-5-methoxy-4-nitramido-5-oxopentyl]ammonium
IUPAC NAME: diaminomethylidene-[(4S)-5-methoxy-4-nitramido-5-oxopentyl]azanium
SYSTEMATIC NAME: bis(azanyl)methylidene-[(4S)-5-methoxy-4-nitramido-5-oxidanylidene-pentyl]azanium
MOLECULAR FORMULA: C7H16N5O4+
MOLECULAR WEIGHT: 234.23304
SMILES: COC(=O)[C@H](CCC[NH+]=C(N)N)N[N+](=O)[O-]
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Product OPENEYE NAME: methyl (1S,4aS,7aR)-7-(hydroxymethyl)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
CAS Name: (1S,4aS,7aR)-7-(hydroxymethyl)-1-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester
IUPAC NAME: methyl (1S,4aS,7aR)-7-(hydroxymethyl)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
SYSTEMATIC NAME: methyl (1S,4aS,7aR)-7-(hydroxymethyl)-1-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
MOLECULAR FORMULA: C17H24O10
MOLECULAR WEIGHT: 388.36646
SMILES: COC(=O)C1=CO[C@H]([C@@H]2[C@@H]1CC=C2CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
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Product OPENEYE NAME: [1-(4-isopropylphenyl)sulfonyl-4-piperidyl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CAS Name: [1-(4-propan-2-ylphenyl)sulfonyl-4-piperidinyl]-[(2R)-2-(1H-pyrrol-2-yl)-1-pyrrolidinyl]methanone
IUPAC NAME: [1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
SYSTEMATIC NAME: [1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
MOLECULAR FORMULA: C23H31N3O3S
MOLECULAR WEIGHT: 429.57554
SMILES: CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC[C@@H]3C4=CC=CN4
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Product OPENEYE NAME: tert-butyl-[2,2-dihydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]ammonium
CAS Name: tert-butyl-[2,2-dihydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]ammonium
IUPAC NAME: tert-butyl-[2,2-dihydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]azanium
SYSTEMATIC NAME: tert-butyl-[2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2,2-bis(oxidanyl)ethyl]azanium
MOLECULAR FORMULA: C13H22NO4+
MOLECULAR WEIGHT: 256.31808
SMILES: CC(C)(C)[NH2+]CC(C1=CC(=C(C=C1)O)CO)(O)O
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Product OPENEYE NAME: 2-(tert-butylamino)-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethane-1,1-diol
CAS Name: 2-(tert-butylamino)-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethane-1,1-diol
IUPAC NAME: 2-(tert-butylamino)-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethane-1,1-diol
SYSTEMATIC NAME: 2-(tert-butylamino)-1-[3-(hydroxymethyl)-4-oxidanyl-phenyl]ethane-1,1-diol
MOLECULAR FORMULA: C13H21NO4
MOLECULAR WEIGHT: 255.31014
SMILES: CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)(O)O
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