Monday, June 25, 2012

All Chemical Compounds Information




Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H54N4O8
MOLECULAR WEIGHT: 778.93226
SMILES: CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC
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Product OPENEYE NAME: methyl 2-amino-3-(5-methyl-1H-indol-3-yl)butanoate
CAS Name: 2-amino-3-(5-methyl-1H-indol-3-yl)butanoic acid methyl ester
IUPAC NAME: methyl 2-amino-3-(5-methyl-1H-indol-3-yl)butanoate
SYSTEMATIC NAME: methyl 2-azanyl-3-(5-methyl-1H-indol-3-yl)butanoate
MOLECULAR FORMULA: C14H18N2O2
MOLECULAR WEIGHT: 246.30492
SMILES: CC1=CC2=C(C=C1)NC=C2C(C)C(C(=O)OC)N
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Product OPENEYE NAME: methyl 2-(benzhydrylideneamino)-3-(1H-indol-3-yl)butanoate
CAS Name: 2-[(diphenylmethylene)amino]-3-(1H-indol-3-yl)butanoic acid methyl ester
IUPAC NAME: methyl 2-(benzhydrylideneamino)-3-(1H-indol-3-yl)butanoate
SYSTEMATIC NAME: methyl 2-[(diphenylmethylidene)amino]-3-(1H-indol-3-yl)butanoate
MOLECULAR FORMULA: C26H24N2O2
MOLECULAR WEIGHT: 396.48096
SMILES: CC(C1=CNC2=CC=CC=C21)C(C(=O)OC)N=C(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: methyl 2-(benzhydrylideneamino)-3-(5-methyl-1H-indol-3-yl)butanoate
CAS Name: 2-[(diphenylmethylene)amino]-3-(5-methyl-1H-indol-3-yl)butanoic acid methyl ester
IUPAC NAME: methyl 2-(benzhydrylideneamino)-3-(5-methyl-1H-indol-3-yl)butanoate
SYSTEMATIC NAME: methyl 2-[(diphenylmethylidene)amino]-3-(5-methyl-1H-indol-3-yl)butanoate
MOLECULAR FORMULA: C27H26N2O2
MOLECULAR WEIGHT: 410.50754
SMILES: CC1=CC2=C(C=C1)NC=C2C(C)C(C(=O)OC)N=C(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: methyl 4-methyl-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
CAS Name: 4-methyl-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid methyl ester
IUPAC NAME: methyl 4-methyl-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
SYSTEMATIC NAME: methyl 4-methyl-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
MOLECULAR FORMULA: C26H24N2O2
MOLECULAR WEIGHT: 396.48096
SMILES: CC1C(NC(C2=C1C3=CC=CC=C3N2)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC
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Product OPENEYE NAME: methyl 4,6-dimethyl-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
CAS Name: 4,6-dimethyl-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid methyl ester
IUPAC NAME: methyl 4,6-dimethyl-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
SYSTEMATIC NAME: methyl 4,6-dimethyl-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
MOLECULAR FORMULA: C27H26N2O2
MOLECULAR WEIGHT: 410.50754
SMILES: CC1C(NC(C2=C1C3=C(N2)C=CC(=C3)C)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC
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Product OPENEYE NAME: (1S,2S,4S)-1,7,7-trimethylnorbornan-2-amine
CAS Name: (1S,3S,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanamine
IUPAC NAME: (1S,3S,4S)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-amine
SYSTEMATIC NAME: (1S,3S,4S)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-amine
MOLECULAR FORMULA: C10H19N
MOLECULAR WEIGHT: 153.26456
SMILES: C[C@]12CC[C@H](C1(C)C)C[C@@H]2N
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Product OPENEYE NAME: 3-methoxy-4-methyl-5-phenyl-1-(1-phenylethyl)pyrazole
CAS Name: 3-methoxy-4-methyl-5-phenyl-1-(1-phenylethyl)pyrazole
IUPAC NAME: 3-methoxy-4-methyl-5-phenyl-1-(1-phenylethyl)pyrazole
SYSTEMATIC NAME: 3-methoxy-4-methyl-5-phenyl-1-(1-phenylethyl)pyrazole
MOLECULAR FORMULA: C19H20N2O
MOLECULAR WEIGHT: 292.3749
SMILES: CC1=C(N(N=C1OC)C(C)C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2,4-dimethyl-5-phenyl-1-(1-phenylethyl)pyrazol-3-one
CAS Name: 2,4-dimethyl-5-phenyl-1-(1-phenylethyl)-3-pyrazolone
IUPAC NAME: 2,4-dimethyl-5-phenyl-1-(1-phenylethyl)pyrazol-3-one
SYSTEMATIC NAME: 2,4-dimethyl-5-phenyl-1-(1-phenylethyl)pyrazol-3-one
MOLECULAR FORMULA: C19H20N2O
MOLECULAR WEIGHT: 292.3749
SMILES: CC1=C(N(N(C1=O)C)C(C)C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-amino-3-[1-(4-phenylbutyl)indol-3-yl]propanoic acid
CAS Name: 2-amino-3-[1-(4-phenylbutyl)-3-indolyl]propanoic acid
IUPAC NAME: 2-amino-3-[1-(4-phenylbutyl)indol-3-yl]propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[1-(4-phenylbutyl)indol-3-yl]propanoic acid
MOLECULAR FORMULA: C21H24N2O2
MOLECULAR WEIGHT: 336.42746
SMILES: C1=CC=C(C=C1)CCCCN2C=C(C3=CC=CC=C32)CC(C(=O)O)N
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Product OPENEYE NAME: 2-amino-3-[5-bromo-1-(4-phenylbutyl)indol-3-yl]propanoic acid
CAS Name: 2-amino-3-[5-bromo-1-(4-phenylbutyl)-3-indolyl]propanoic acid
IUPAC NAME: 2-amino-3-[5-bromo-1-(4-phenylbutyl)indol-3-yl]propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[5-bromanyl-1-(4-phenylbutyl)indol-3-yl]propanoic acid
MOLECULAR FORMULA: C21H23BrN2O2
MOLECULAR WEIGHT: 415.32352
SMILES: C1=CC=C(C=C1)CCCCN2C=C(C3=C2C=CC(=C3)Br)CC(C(=O)O)N
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Product OPENEYE NAME: 3-(1H-indol-3-yl)-2-(4-phenylbutanoylamino)propanoic acid
CAS Name: 3-(1H-indol-3-yl)-2-[(1-oxo-4-phenylbutyl)amino]propanoic acid
IUPAC NAME: 3-(1H-indol-3-yl)-2-(4-phenylbutanoylamino)propanoic acid
SYSTEMATIC NAME: 3-(1H-indol-3-yl)-2-(4-phenylbutanoylamino)propanoic acid
MOLECULAR FORMULA: C21H22N2O3
MOLECULAR WEIGHT: 350.41098
SMILES: C1=CC=C(C=C1)CCCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O
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Product OPENEYE NAME: 3-(1H-indol-3-yl)-2-(5-phenylpentanoylamino)propanoic acid
CAS Name: 3-(1H-indol-3-yl)-2-[(1-oxo-5-phenylpentyl)amino]propanoic acid
IUPAC NAME: 3-(1H-indol-3-yl)-2-(5-phenylpentanoylamino)propanoic acid
SYSTEMATIC NAME: 3-(1H-indol-3-yl)-2-(5-phenylpentanoylamino)propanoic acid
MOLECULAR FORMULA: C22H24N2O3
MOLECULAR WEIGHT: 364.43756
SMILES: C1=CC=C(C=C1)CCCCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O
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