Sunday, October 30, 2011

All Chemical Compounds Information




Product OPENEYE NAME: (Z)-2-(1-ethylbutoxy)-3-(o-tolyl)prop-2-enal
CAS Name: (Z)-2-hexan-3-yloxy-3-(2-methylphenyl)-2-propenal
IUPAC NAME: (Z)-2-hexan-3-yloxy-3-(2-methylphenyl)prop-2-enal
SYSTEMATIC NAME: (Z)-2-hexan-3-yloxy-3-(2-methylphenyl)prop-2-enal
MOLECULAR FORMULA: C16H22O2
MOLECULAR WEIGHT: 246.34468
SMILES: CCCC(CC)O/C(=C\C1=CC=CC=C1C)/C=O
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Product OPENEYE NAME: 5-isobutyl-3-methoxy-4-oxido-6-oxo-N-[2-(2-oxoindol-3-yl)ethyl]-1H-pyrazin-4-ium-2-carboxamide
CAS Name: 3-methoxy-5-(2-methylpropyl)-4-oxido-6-oxo-N-[2-(2-oxo-3-indolyl)ethyl]-1H-pyrazin-4-ium-2-carboxamide
IUPAC NAME: 3-methoxy-5-(2-methylpropyl)-4-oxido-6-oxo-N-[2-(2-oxoindol-3-yl)ethyl]-1H-pyrazin-4-ium-2-carboxamide
SYSTEMATIC NAME: 3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-6-oxidanylidene-N-[2-(2-oxidanylideneindol-3-yl)ethyl]-1H-pyrazin-4-ium-2-carboxamide
MOLECULAR FORMULA: C20H22N4O5
MOLECULAR WEIGHT: 398.41248
SMILES: CC(C)CC1=[N+](C(=C(NC1=O)C(=O)NCCC2=C3C=CC=CC3=NC2=O)OC)[O-]
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Product OPENEYE NAME: 2-amino-2-[(2Z)-2-hydroxyimino-3-(1H-indol-3-yl)propanoyl]propanedioic acid
CAS Name: 2-amino-2-[(2Z)-2-hydroxyimino-3-(1H-indol-3-yl)-1-oxopropyl]propanedioic acid
IUPAC NAME: 2-amino-2-[(2Z)-2-hydroxyimino-3-(1H-indol-3-yl)propanoyl]propanedioic acid
SYSTEMATIC NAME: 2-azanyl-2-[(2Z)-2-hydroxyimino-3-(1H-indol-3-yl)propanoyl]propanedioic acid
MOLECULAR FORMULA: C14H13N3O6
MOLECULAR WEIGHT: 319.26952
SMILES: C1=CC=C2C(=C1)C(=CN2)C/C(=N/O)/C(=O)C(C(=O)O)(C(=O)O)N
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Product OPENEYE NAME: 1-[1-pentyl-6-[3-(6-phenylhexoxy)phenyl]hexyl]-2-(5-phenylpentoxy)benzene
CAS Name: 1-(6-phenylhexoxy)-3-[6-[2-(5-phenylpentoxy)phenyl]undecyl]benzene
IUPAC NAME: 1-(6-phenylhexoxy)-3-[6-[2-(5-phenylpentoxy)phenyl]undecyl]benzene
SYSTEMATIC NAME: 1-(6-phenylhexoxy)-3-[6-[2-(5-phenylpentoxy)phenyl]undecyl]benzene
MOLECULAR FORMULA: C46H62O2
MOLECULAR WEIGHT: 646.98328
SMILES: CCCCCC(CCCCCC1=CC(=CC=C1)OCCCCCCC2=CC=CC=C2)C3=CC=CC=C3OCCCCCC4=CC=CC=C4
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Product OPENEYE NAME: 6-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-3-isobutyl-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one
CAS Name: 6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-5-methoxy-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one
IUPAC NAME: 6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-5-methoxy-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one
SYSTEMATIC NAME: 6-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-5-methoxy-3-(2-methylpropyl)-4-oxidanidyl-1H-pyrazin-4-ium-2-one
MOLECULAR FORMULA: C24H36N2O4
MOLECULAR WEIGHT: 416.55364
SMILES: CC(C)CC1=[N+](C(=C(NC1=O)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)OC)[O-]
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Product OPENEYE NAME: 1-(1H-benzimidazol-2-ylmethyl)-5-isobutyl-3-methoxy-4-oxido-6-oxo-pyrazin-4-ium-2-carboxamide
CAS Name: 1-(1H-benzimidazol-2-ylmethyl)-3-methoxy-5-(2-methylpropyl)-4-oxido-6-oxo-2-pyrazin-4-iumcarboxamide
IUPAC NAME: 1-(1H-benzimidazol-2-ylmethyl)-3-methoxy-5-(2-methylpropyl)-4-oxido-6-oxopyrazin-4-ium-2-carboxamide
SYSTEMATIC NAME: 1-(1H-benzimidazol-2-ylmethyl)-3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-6-oxidanylidene-pyrazin-4-ium-2-carboxamide
MOLECULAR FORMULA: C18H21N5O4
MOLECULAR WEIGHT: 371.39044
SMILES: CC(C)CC1=[N+](C(=C(N(C1=O)CC2=NC3=CC=CC=C3N2)C(=O)N)OC)[O-]
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Product OPENEYE NAME: 2-(2-hydroxybenzoyl)-3,4,5-trimethoxy-benzaldehyde
CAS Name: 2-[(2-hydroxyphenyl)-oxomethyl]-3,4,5-trimethoxybenzaldehyde
IUPAC NAME: 2-(2-hydroxybenzoyl)-3,4,5-trimethoxybenzaldehyde
SYSTEMATIC NAME: 2-(2-hydroxyphenyl)carbonyl-3,4,5-trimethoxy-benzaldehyde
MOLECULAR FORMULA: C17H16O6
MOLECULAR WEIGHT: 316.30534
SMILES: COC1=C(C(=C(C(=C1)C=O)C(=O)C2=CC=CC=C2O)OC)OC
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Product OPENEYE NAME: 1-(3,4-difluorophenyl)-2-methyl-propan-2-ol
CAS Name: 1-(3,4-difluorophenyl)-2-methyl-2-propanol
IUPAC NAME: 1-(3,4-difluorophenyl)-2-methylpropan-2-ol
SYSTEMATIC NAME: 1-[3,4-bis(fluoranyl)phenyl]-2-methyl-propan-2-ol
MOLECULAR FORMULA: C10H12F2O
MOLECULAR WEIGHT: 186.198486
SMILES: CC(C)(CC1=CC(=C(C=C1)F)F)O
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Product OPENEYE NAME: 2-[2-amino-1-(4-phenylphenyl)ethyl]-3-oxo-2-(phosphonomethylamino)pentanoic acid
CAS Name: 2-[2-amino-1-(4-phenylphenyl)ethyl]-3-oxo-2-(phosphonomethylamino)pentanoic acid
IUPAC NAME: 2-[2-amino-1-(4-phenylphenyl)ethyl]-3-oxo-2-(phosphonomethylamino)pentanoic acid
SYSTEMATIC NAME: 2-[2-azanyl-1-(4-phenylphenyl)ethyl]-3-oxidanylidene-2-(phosphonomethylamino)pentanoic acid
MOLECULAR FORMULA: C20H25N2O6P
MOLECULAR WEIGHT: 420.396061
SMILES: CCC(=O)C(C(CN)C1=CC=C(C=C1)C2=CC=CC=C2)(C(=O)O)NCP(=O)(O)O
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Product OPENEYE NAME: [1-[[1-[amino-(4-phenylphenyl)methyl]-2-oxo-2-propanoyloxy-ethyl]amino]-1-methyl-ethyl]phosphonic acid
CAS Name: 2-[[1-amino-3-oxo-3-(1-oxopropoxy)-1-(4-phenylphenyl)propan-2-yl]amino]propan-2-ylphosphonic acid
IUPAC NAME: 2-[[1-amino-3-oxo-1-(4-phenylphenyl)-3-propanoyloxypropan-2-yl]amino]propan-2-ylphosphonic acid
SYSTEMATIC NAME: 2-[[1-azanyl-3-oxidanylidene-1-(4-phenylphenyl)-3-propanoyloxy-propan-2-yl]amino]propan-2-ylphosphonic acid
MOLECULAR FORMULA: C21H27N2O6P
MOLECULAR WEIGHT: 434.422641
SMILES: CCC(=O)OC(=O)C(C(C1=CC=C(C=C1)C2=CC=CC=C2)N)NC(C)(C)P(=O)(O)O
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Product OPENEYE NAME: 2-(aminomethyl)-3-oxo-5-(4-phenylphenyl)-4-(phosphonomethylamino)pentanoate
CAS Name: 2-(aminomethyl)-3-oxo-5-(4-phenylphenyl)-4-(phosphonomethylamino)pentanoate
IUPAC NAME: 2-(aminomethyl)-3-oxo-5-(4-phenylphenyl)-4-(phosphonomethylamino)pentanoate
SYSTEMATIC NAME: 2-(aminomethyl)-3-oxidanylidene-5-(4-phenylphenyl)-4-(phosphonomethylamino)pentanoate
MOLECULAR FORMULA: C19H22N2O6P-
MOLECULAR WEIGHT: 405.361541
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CC(C(=O)C(CN)C(=O)[O-])NCP(=O)(O)O
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Product OPENEYE NAME: 2-(aminomethyl)-3-oxo-5-(4-phenylphenyl)-4-(phosphonomethylamino)pentanoic acid
CAS Name: 2-(aminomethyl)-3-oxo-5-(4-phenylphenyl)-4-(phosphonomethylamino)pentanoic acid
IUPAC NAME: 2-(aminomethyl)-3-oxo-5-(4-phenylphenyl)-4-(phosphonomethylamino)pentanoic acid
SYSTEMATIC NAME: 2-(aminomethyl)-3-oxidanylidene-5-(4-phenylphenyl)-4-(phosphonomethylamino)pentanoic acid
MOLECULAR FORMULA: C19H23N2O6P
MOLECULAR WEIGHT: 406.369481
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CC(C(=O)C(CN)C(=O)O)NCP(=O)(O)O
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Product OPENEYE NAME: 2-[amino-(4-phenylphenyl)methyl]-3-oxo-2-[[phosphono(bis-p-tolyl)methyl]amino]pentanoic acid
CAS Name: 2-[amino-(4-phenylphenyl)methyl]-2-[[bis(4-methylphenyl)-phosphonomethyl]amino]-3-oxopentanoic acid
IUPAC NAME: 2-[amino-(4-phenylphenyl)methyl]-2-[[bis(4-methylphenyl)-phosphonomethyl]amino]-3-oxopentanoic acid
SYSTEMATIC NAME: 2-[azanyl-(4-phenylphenyl)methyl]-2-[[bis(4-methylphenyl)-phosphono-methyl]amino]-3-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C33H35N2O6P
MOLECULAR WEIGHT: 586.614561
SMILES: CCC(=O)C(C(C1=CC=C(C=C1)C2=CC=CC=C2)N)(C(=O)O)NC(C3=CC=C(C=C3)C)(C4=CC=C(C=C4)C)P(=O)(O)O
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