Tuesday, February 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 4-[6-(3-allyl-2-hydroxy-phenyl)-8-(3-carboxypropyl)-1,3,7,9-tetraoxo-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindol-2-yl]butanoic acid
CAS Name: 4-[8-(3-carboxypropyl)-6-(2-hydroxy-3-prop-2-enylphenyl)-1,3,7,9-tetraoxo-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindol-2-yl]butanoic acid
IUPAC NAME: 4-[8-(3-carboxypropyl)-6-(2-hydroxy-3-prop-2-enylphenyl)-1,3,7,9-tetraoxo-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindol-2-yl]butanoic acid
SYSTEMATIC NAME: 4-[1,3,7,9-tetrakis(oxidanylidene)-8-(4-oxidanyl-4-oxidanylidene-butyl)-6-(2-oxidanyl-3-prop-2-enyl-phenyl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindol-2-yl]butanoic acid
MOLECULAR FORMULA: C31H34N2O9
MOLECULAR WEIGHT: 578.60966
SMILES: C=CCC1=CC=CC(=C1O)C2C3C(CC4C2=CCC5C4C(=O)N(C5=O)CCCC(=O)O)C(=O)N(C3=O)CCCC(=O)O
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Product OPENEYE NAME: 3-[8-(3-carboxyphenyl)-6-(4-hydroxy-3-iodo-5-methoxy-phenyl)-1,3,7,9-tetraoxo-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindol-2-yl]benzoic acid
CAS Name: 3-[8-(3-carboxyphenyl)-6-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,3,7,9-tetraoxo-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindol-2-yl]benzoic acid
IUPAC NAME: 3-[8-(3-carboxyphenyl)-6-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,3,7,9-tetraoxo-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindol-2-yl]benzoic acid
SYSTEMATIC NAME: 3-[8-(3-carboxyphenyl)-6-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-1,3,7,9-tetrakis(oxidanylidene)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindol-2-yl]benzoic acid
MOLECULAR FORMULA: C35H27IN2O10
MOLECULAR WEIGHT: 762.50075
SMILES: COC1=C(C(=CC(=C1)C2C3C(CC4C2=CCC5C4C(=O)N(C5=O)C6=CC=CC(=C6)C(=O)O)C(=O)N(C3=O)C7=CC=CC(=C7)C(=O)O)I)O
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Product OPENEYE NAME:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H18Br2Cl2N4O5
MOLECULAR WEIGHT: 685.14822
SMILES: C1C=C2C(CC3(C(=O)N(C(=O)C3(C2C4=C(C=CC(=C4)Br)O)Cl)CBr)Cl)N5N1C(=O)N(C5=O)C6=CC=CC=C6
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
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MOLECULAR FORMULA: C45H41ClFN7O9
MOLECULAR WEIGHT: 878.299943
SMILES: CN1C2=CC(=C(C=C2N=C(C1=O)CCN3C(=O)N4CC=C5C(N4C3=O)CC6C(=O)N(C(=O)C6(C5C7=CC=CC=C7OCCO)C8=CC=C(C=C8)Cl)NC9=CC=C(C=C9)F)OC)OC
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Product OPENEYE NAME: N-(2H-tetrazol-5-yl)propanamide
CAS Name: N-(2H-tetrazol-5-yl)propanamide
IUPAC NAME: N-(2H-tetrazol-5-yl)propanamide
SYSTEMATIC NAME: N-(2H-1,2,3,4-tetrazol-5-yl)propanamide
MOLECULAR FORMULA: C4H7N5O
MOLECULAR WEIGHT: 141.13128
SMILES: CCC(=O)NC1=NNN=N1
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Product OPENEYE NAME: N-[3-[N-[(2-methoxybenzoyl)amino]-C-methyl-carbonimidoyl]phenyl]furan-2-carboxamide
CAS Name: N-[3-[1-[[(2-methoxyphenyl)-oxomethyl]hydrazinylidene]ethyl]phenyl]-2-furancarboxamide
IUPAC NAME: N-[3-[N-[(2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[3-[N-[(2-methoxyphenyl)carbonylamino]-C-methyl-carbonimidoyl]phenyl]furan-2-carboxamide
MOLECULAR FORMULA: C21H19N3O4
MOLECULAR WEIGHT: 377.39326
SMILES: CC(=NNC(=O)C1=CC=CC=C1OC)C2=CC(=CC=C2)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: propyl 2-[(2-chlorobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester
IUPAC NAME: propyl 2-[(2-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: propyl 2-[(2-chlorophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C19H20ClNO3S
MOLECULAR WEIGHT: 377.885
SMILES: CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3Cl
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Product OPENEYE NAME: isopropyl 4-ethyl-2-[[2-(4-ethylphenyl)quinoline-4-carbonyl]amino]-5-methyl-thiophene-3-carboxylate
CAS Name: 4-ethyl-2-[[[2-(4-ethylphenyl)-4-quinolinyl]-oxomethyl]amino]-5-methyl-3-thiophenecarboxylic acid propan-2-yl ester
IUPAC NAME: propan-2-yl 4-ethyl-2-[[2-(4-ethylphenyl)quinoline-4-carbonyl]amino]-5-methylthiophene-3-carboxylate
SYSTEMATIC NAME: propan-2-yl 4-ethyl-2-[[2-(4-ethylphenyl)quinolin-4-yl]carbonylamino]-5-methyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C29H30N2O3S
MOLECULAR WEIGHT: 486.6251
SMILES: CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)CC)C(=O)OC(C)C
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Product OPENEYE NAME: 4-(4-chloro-2-methyl-phenoxy)-N-[[4-(diethylamino)phenyl]methyleneamino]butanamide
CAS Name: 4-(4-chloro-2-methylphenoxy)-N-[[4-(diethylamino)phenyl]methylideneamino]butanamide
IUPAC NAME: 4-(4-chloro-2-methylphenoxy)-N-[[4-(diethylamino)phenyl]methylideneamino]butanamide
SYSTEMATIC NAME: 4-(4-chloranyl-2-methyl-phenoxy)-N-[[4-(diethylamino)phenyl]methylideneamino]butanamide
MOLECULAR FORMULA: C22H28ClN3O2
MOLECULAR WEIGHT: 401.92962
SMILES: CCN(CC)C1=CC=C(C=C1)C=NNC(=O)CCCOC2=C(C=C(C=C2)Cl)C
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Product OPENEYE NAME: N-[1-(4-methoxyphenyl)propylideneamino]-3-methyl-butanamide
CAS Name: N-[1-(4-methoxyphenyl)propylideneamino]-3-methylbutanamide
IUPAC NAME: N-[1-(4-methoxyphenyl)propylideneamino]-3-methylbutanamide
SYSTEMATIC NAME: N-[1-(4-methoxyphenyl)propylideneamino]-3-methyl-butanamide
MOLECULAR FORMULA: C15H22N2O2
MOLECULAR WEIGHT: 262.34738
SMILES: CCC(=NNC(=O)CC(C)C)C1=CC=C(C=C1)OC
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Product OPENEYE NAME: 2-methyl-N-[(1-methyl-2-phenyl-ethylidene)amino]furan-3-carboxamide
CAS Name: 2-methyl-N-(1-phenylpropan-2-ylideneamino)-3-furancarboxamide
IUPAC NAME: 2-methyl-N-(1-phenylpropan-2-ylideneamino)furan-3-carboxamide
SYSTEMATIC NAME: 2-methyl-N-(1-phenylpropan-2-ylideneamino)furan-3-carboxamide
MOLECULAR FORMULA: C15H16N2O2
MOLECULAR WEIGHT: 256.29974
SMILES: CC1=C(C=CO1)C(=O)NN=C(C)CC2=CC=CC=C2
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Product OPENEYE NAME: 3-methyl-2-(p-tolyl)-N-(2-pyridylmethyl)quinoline-4-carboxamide
CAS Name: 3-methyl-2-(4-methylphenyl)-N-(2-pyridinylmethyl)-4-quinolinecarboxamide
IUPAC NAME: 3-methyl-2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
SYSTEMATIC NAME: 3-methyl-2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
MOLECULAR FORMULA: C24H21N3O
MOLECULAR WEIGHT: 367.44304
SMILES: CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)NCC4=CC=CC=N4
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Product OPENEYE NAME: isopropyl 2-(3-cyclohexylpropanoylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate
CAS Name: 2-[(3-cyclohexyl-1-oxopropyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid propan-2-yl ester
IUPAC NAME: propan-2-yl 2-(3-cyclohexylpropanoylamino)-4-ethyl-5-methylthiophene-3-carboxylate
SYSTEMATIC NAME: propan-2-yl 2-(3-cyclohexylpropanoylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C20H31NO3S
MOLECULAR WEIGHT: 365.53004
SMILES: CCC1=C(SC(=C1C(=O)OC(C)C)NC(=O)CCC2CCCCC2)C
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Product OPENEYE NAME: 2-(4-ethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
CAS Name: 2-(4-ethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-quinolinecarboxamide
IUPAC NAME: 2-(4-ethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
SYSTEMATIC NAME: 2-(4-ethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
MOLECULAR FORMULA: C26H21N3O3S2
MOLECULAR WEIGHT: 487.59324
SMILES: CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C
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Product OPENEYE NAME: 1-[[4-[4-[4-(hydroxymethyl)phenyl]-6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]methyl]-3-(4-phenoxyphenyl)urea
CAS Name: 1-[[4-[4-[4-(hydroxymethyl)phenyl]-6-[(1H-1,2,4-triazol-5-ylthio)methyl]-1,3-dioxan-2-yl]phenyl]methyl]-3-(4-phenoxyphenyl)urea
IUPAC NAME: 1-[[4-[4-[4-(hydroxymethyl)phenyl]-6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]methyl]-3-(4-phenoxyphenyl)urea
SYSTEMATIC NAME: 1-[[4-[4-[4-(hydroxymethyl)phenyl]-6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]methyl]-3-(4-phenoxyphenyl)urea
MOLECULAR FORMULA: C34H33N5O5S
MOLECULAR WEIGHT: 623.72132
SMILES: C1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)CSC6=NC=NN6
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