Tuesday, January 24, 2012

All Chemical Compounds Information




Product OPENEYE NAME: [4-bromo-2-[[[6-[2-[[5-bromo-2-(4-methoxybenzoyl)oxy-phenyl]methylene]hydrazino]-6-oxo-hexanoyl]hydrazono]methyl]phenyl] 4-methoxybenzoate
CAS Name: 4-methoxybenzoic acid [4-bromo-2-[[[6-[2-[[5-bromo-2-[(4-methoxyphenyl)-oxomethoxy]phenyl]methylidene]hydrazinyl]-1,6-dioxohexyl]hydrazinylidene]methyl]phenyl] ester
IUPAC NAME: [4-bromo-2-[[[6-[2-[[5-bromo-2-(4-methoxybenzoyl)oxyphenyl]methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
SYSTEMATIC NAME: [4-bromanyl-2-[[[6-[2-[[5-bromanyl-2-(4-methoxyphenyl)carbonyloxy-phenyl]methylidene]hydrazinyl]-6-oxidanylidene-hexanoyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
MOLECULAR FORMULA: C36H32Br2N4O8
MOLECULAR WEIGHT: 808.46928
SMILES: COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=O)CCCCC(=O)NN=CC3=C(C=CC(=C3)Br)OC(=O)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: N-benzyl-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide
CAS Name: 2-[4-[oxo-(4-phenylphenyl)methyl]-1-pyridin-1-iumyl]-N-(phenylmethyl)acetamide
IUPAC NAME: N-benzyl-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-(phenylmethyl)-2-[4-(4-phenylphenyl)carbonylpyridin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C27H23N2O2+
MOLECULAR WEIGHT: 407.48372
SMILES: C1=CC=C(C=C1)CNC(=O)C[N+]2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4
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Product OPENEYE NAME: N-[3-[2-oxo-2-(p-tolyl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylidene]benzamide
CAS Name: N-[3-[2-(4-methylphenyl)-2-oxoethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylidene]benzamide
IUPAC NAME: N-[3-[2-(4-methylphenyl)-2-oxoethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylidene]benzamide
SYSTEMATIC NAME: N-[3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylidene]benzamide
MOLECULAR FORMULA: C23H22N2O2S
MOLECULAR WEIGHT: 390.49798
SMILES: CC1=CC=C(C=C1)C(=O)CN2C3=C(CCCC3)SC2=NC(=O)C4=CC=CC=C4
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H24O12
MOLECULAR WEIGHT: 516.45086
SMILES: COC(=O)C1C2C=CC(C=C1C(=O)OC)C3=C(C(=C(C(=C23)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
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Product OPENEYE NAME: 12H-indolo[2,1-b]quinazolin-6-one
CAS Name: 12H-indolo[2,1-b]quinazolin-6-one
IUPAC NAME: 12H-indolo[2,1-b]quinazolin-6-one
SYSTEMATIC NAME: 12H-indolo[2,1-b]quinazolin-6-one
MOLECULAR FORMULA: C15H10N2O
MOLECULAR WEIGHT: 234.2527
SMILES: C1C2=CC=CC=C2N=C3N1C4=CC=CC=C4C3=O
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Product OPENEYE NAME: 2-chloro-N-[2-oxo-2-[2-[(4-oxochromen-3-yl)methylene]hydrazino]ethyl]benzamide
CAS Name: 2-chloro-N-[2-oxo-2-[2-[(4-oxo-1-benzopyran-3-yl)methylidene]hydrazinyl]ethyl]benzamide
IUPAC NAME: 2-chloro-N-[2-oxo-2-[2-[(4-oxochromen-3-yl)methylidene]hydrazinyl]ethyl]benzamide
SYSTEMATIC NAME: 2-chloranyl-N-[2-oxidanylidene-2-[2-[(4-oxidanylidenechromen-3-yl)methylidene]hydrazinyl]ethyl]benzamide
MOLECULAR FORMULA: C19H14ClN3O4
MOLECULAR WEIGHT: 383.78516
SMILES: C1=CC=C2C(=C1)C(=O)C(=CO2)C=NNC(=O)CNC(=O)C3=CC=CC=C3Cl
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Product OPENEYE NAME: 3-[(3-methylbenzoyl)amino]-3-(3-nitrophenyl)propanoate
CAS Name: 3-[[(3-methylphenyl)-oxomethyl]amino]-3-(3-nitrophenyl)propanoate
IUPAC NAME: 3-[(3-methylbenzoyl)amino]-3-(3-nitrophenyl)propanoate
SYSTEMATIC NAME: 3-[(3-methylphenyl)carbonylamino]-3-(3-nitrophenyl)propanoate
MOLECULAR FORMULA: C17H15N2O5-
MOLECULAR WEIGHT: 327.3114
SMILES: CC1=CC=CC(=C1)C(=O)NC(CC(=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 3-[(3-methylbenzoyl)amino]-3-(3-nitrophenyl)propanoic acid
CAS Name: 3-[[(3-methylphenyl)-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid
IUPAC NAME: 3-[(3-methylbenzoyl)amino]-3-(3-nitrophenyl)propanoic acid
SYSTEMATIC NAME: 3-[(3-methylphenyl)carbonylamino]-3-(3-nitrophenyl)propanoic acid
MOLECULAR FORMULA: C17H16N2O5
MOLECULAR WEIGHT: 328.31934
SMILES: CC1=CC=CC(=C1)C(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-(3-nitrophenyl)propanoate
CAS Name: 3-[[2-(2-methoxyphenoxy)-1-oxoethyl]amino]-3-(3-nitrophenyl)propanoate
IUPAC NAME: 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-(3-nitrophenyl)propanoate
SYSTEMATIC NAME: 3-[2-(2-methoxyphenoxy)ethanoylamino]-3-(3-nitrophenyl)propanoate
MOLECULAR FORMULA: C18H17N2O7-
MOLECULAR WEIGHT: 373.33678
SMILES: COC1=CC=CC=C1OCC(=O)NC(CC(=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-(4-propoxyphenyl)propanoate
CAS Name: 3-[[2-(2-methoxyphenoxy)-1-oxoethyl]amino]-3-(4-propoxyphenyl)propanoate
IUPAC NAME: 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-(4-propoxyphenyl)propanoate
SYSTEMATIC NAME: 3-[2-(2-methoxyphenoxy)ethanoylamino]-3-(4-propoxyphenyl)propanoate
MOLECULAR FORMULA: C21H24NO6-
MOLECULAR WEIGHT: 386.41836
SMILES: CCCOC1=CC=C(C=C1)C(CC(=O)[O-])NC(=O)COC2=CC=CC=C2OC
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Product OPENEYE NAME: 3-[(2-phenylacetyl)amino]-3-(4-propoxyphenyl)propanoate
CAS Name: 3-[(1-oxo-2-phenylethyl)amino]-3-(4-propoxyphenyl)propanoate
IUPAC NAME: 3-[(2-phenylacetyl)amino]-3-(4-propoxyphenyl)propanoate
SYSTEMATIC NAME: 3-(2-phenylethanoylamino)-3-(4-propoxyphenyl)propanoate
MOLECULAR FORMULA: C20H22NO4-
MOLECULAR WEIGHT: 340.39298
SMILES: CCCOC1=CC=C(C=C1)C(CC(=O)[O-])NC(=O)CC2=CC=CC=C2
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Product OPENEYE NAME: 3-[(2-phenylacetyl)amino]-3-(4-propoxyphenyl)propanoic acid
CAS Name: 3-[(1-oxo-2-phenylethyl)amino]-3-(4-propoxyphenyl)propanoic acid
IUPAC NAME: 3-[(2-phenylacetyl)amino]-3-(4-propoxyphenyl)propanoic acid
SYSTEMATIC NAME: 3-(2-phenylethanoylamino)-3-(4-propoxyphenyl)propanoic acid
MOLECULAR FORMULA: C20H23NO4
MOLECULAR WEIGHT: 341.40092
SMILES: CCCOC1=CC=C(C=C1)C(CC(=O)O)NC(=O)CC2=CC=CC=C2
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Product OPENEYE NAME: 3-[(3-chlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoate
CAS Name: 3-[[(3-chlorophenyl)-oxomethyl]amino]-3-(4-propoxyphenyl)propanoate
IUPAC NAME: 3-[(3-chlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoate
SYSTEMATIC NAME: 3-[(3-chlorophenyl)carbonylamino]-3-(4-propoxyphenyl)propanoate
MOLECULAR FORMULA: C19H19ClNO4-
MOLECULAR WEIGHT: 360.81146
SMILES: CCCOC1=CC=C(C=C1)C(CC(=O)[O-])NC(=O)C2=CC(=CC=C2)Cl
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Product OPENEYE NAME: 3-benzamido-3-(4-propoxyphenyl)propanoate
CAS Name: 3-benzamido-3-(4-propoxyphenyl)propanoate
IUPAC NAME: 3-benzamido-3-(4-propoxyphenyl)propanoate
SYSTEMATIC NAME: 3-benzamido-3-(4-propoxyphenyl)propanoate
MOLECULAR FORMULA: C19H20NO4-
MOLECULAR WEIGHT: 326.3664
SMILES: CCCOC1=CC=C(C=C1)C(CC(=O)[O-])NC(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 2-(p-tolyl)-6-(2-thienyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine-3,5-diium
CAS Name: 2-(4-methylphenyl)-6-thiophen-2-yl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine-3,5-diium
IUPAC NAME: 2-(4-methylphenyl)-6-thiophen-2-yl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine-3,5-diium
SYSTEMATIC NAME: 2-(4-methylphenyl)-6-thiophen-2-yl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine-3,5-diium
MOLECULAR FORMULA: C16H13F6N3S+2
MOLECULAR WEIGHT: 393.349939
SMILES: CC1=CC=C(C=C1)C2=[NH+]C([NH+]=C(N2)C3=CC=CS3)(C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: 2-(p-tolyl)-6-(2-thienyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine
CAS Name: 2-(4-methylphenyl)-6-thiophen-2-yl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine
IUPAC NAME: 2-(4-methylphenyl)-6-thiophen-2-yl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine
SYSTEMATIC NAME: 2-(4-methylphenyl)-6-thiophen-2-yl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine
MOLECULAR FORMULA: C16H11F6N3S
MOLECULAR WEIGHT: 391.334059
SMILES: CC1=CC=C(C=C1)C2=NC(N=C(N2)C3=CC=CS3)(C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: ethyl 2-[6-methyl-2-(4-phenylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CAS Name: 2-[6-methyl-2-[oxo-(4-phenylphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[6-methyl-2-(4-phenylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: ethyl 2-[6-methyl-2-(4-phenylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate
MOLECULAR FORMULA: C25H22N2O3S
MOLECULAR WEIGHT: 430.51878
SMILES: CCOC(=O)CN1C2=C(C=C(C=C2)C)SC1=NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4
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Product OPENEYE NAME: ethyl 2-[6-chloro-2-(2-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CAS Name: 2-[6-chloro-2-[(2-methoxyphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[6-chloro-2-(2-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: ethyl 2-[6-chloranyl-2-(2-methoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate
MOLECULAR FORMULA: C19H17ClN2O4S
MOLECULAR WEIGHT: 404.86728
SMILES: CCOC(=O)CN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)C3=CC=CC=C3OC
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