Friday, September 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: (Z)-5-[2-[benzyloxycarbonyl(1-naphthyl)amino]hexanoylamino]-4-hydroxy-2-(3-hydroxypropyl)-7-methyl-oct-2-enoic acid
CAS Name: (Z)-4-hydroxy-2-(3-hydroxypropyl)-7-methyl-5-[[2-[1-naphthalenyl(phenylmethoxycarbonyl)amino]-1-oxohexyl]amino]-2-octenoic acid
IUPAC NAME: (Z)-4-hydroxy-2-(3-hydroxypropyl)-7-methyl-5-[2-[naphthalen-1-yl(phenylmethoxycarbonyl)amino]hexanoylamino]oct-2-enoic acid
SYSTEMATIC NAME: (Z)-7-methyl-5-[2-[naphthalen-1-yl(phenylmethoxycarbonyl)amino]hexanoylamino]-4-oxidanyl-2-(3-oxidanylpropyl)oct-2-enoic acid
MOLECULAR FORMULA: C36H46N2O7
MOLECULAR WEIGHT: 618.75964
SMILES: CCCCC(C(=O)NC(CC(C)C)C(/C=C(/CCCO)\C(=O)O)O)N(C1=CC=CC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3
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Product OPENEYE NAME: (E)-5-amino-4-hydroxy-pent-2-enoic acid
CAS Name: (E)-5-amino-4-hydroxy-2-pentenoic acid
IUPAC NAME: (E)-5-amino-4-hydroxypent-2-enoic acid
SYSTEMATIC NAME: (E)-5-azanyl-4-oxidanyl-pent-2-enoic acid
MOLECULAR FORMULA: C5H9NO3
MOLECULAR WEIGHT: 131.12986
SMILES: C(C(/C=C/C(=O)O)O)N
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Product OPENEYE NAME: benzyl 4-isobutyl-2,2-dimethyl-5-(3-methyl-2-methylene-butanoyl)oxy-oxazolidine-3-carboxylate
CAS Name: 2,2-dimethyl-5-(3-methyl-2-methylene-1-oxobutoxy)-4-(2-methylpropyl)-3-oxazolidinecarboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl 2,2-dimethyl-5-(3-methyl-2-methylidenebutanoyl)oxy-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 2,2-dimethyl-5-(3-methyl-2-methylidene-butanoyl)oxy-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate
MOLECULAR FORMULA: C23H33NO5
MOLECULAR WEIGHT: 403.51182
SMILES: CC(C)CC1C(OC(N1C(=O)OCC2=CC=CC=C2)(C)C)OC(=O)C(=C)C(C)C
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Product OPENEYE NAME: (Z)-3-amino-4-hydroxy-2-(3-hydroxypropyl)-7-methyl-oct-2-enoic acid
CAS Name: (Z)-3-amino-4-hydroxy-2-(3-hydroxypropyl)-7-methyl-2-octenoic acid
IUPAC NAME: (Z)-3-amino-4-hydroxy-2-(3-hydroxypropyl)-7-methyloct-2-enoic acid
SYSTEMATIC NAME: (Z)-3-azanyl-7-methyl-4-oxidanyl-2-(3-oxidanylpropyl)oct-2-enoic acid
MOLECULAR FORMULA: C12H23NO4
MOLECULAR WEIGHT: 245.31532
SMILES: CC(C)CCC(/C(=C(\CCCO)/C(=O)O)/N)O
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Product OPENEYE NAME: (E)-3-(3-benzyloxycarbonyl-4-isobutyl-2,2-dimethyl-oxazolidin-5-yl)prop-2-enoate
CAS Name: (E)-3-[2,2-dimethyl-4-(2-methylpropyl)-3-phenylmethoxycarbonyl-5-oxazolidinyl]-2-propenoate
IUPAC NAME: (E)-3-[2,2-dimethyl-4-(2-methylpropyl)-3-phenylmethoxycarbonyl-1,3-oxazolidin-5-yl]prop-2-enoate
SYSTEMATIC NAME: (E)-3-[2,2-dimethyl-4-(2-methylpropyl)-3-phenylmethoxycarbonyl-1,3-oxazolidin-5-yl]prop-2-enoate
MOLECULAR FORMULA: C20H26NO5-
MOLECULAR WEIGHT: 360.42414
SMILES: CC(C)CC1C(OC(N1C(=O)OCC2=CC=CC=C2)(C)C)/C=C/C(=O)[O-]
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Product OPENEYE NAME: (E)-3-(3-benzyloxycarbonyl-4-isobutyl-2,2-dimethyl-oxazolidin-5-yl)prop-2-enoic acid
CAS Name: (E)-3-[2,2-dimethyl-4-(2-methylpropyl)-3-phenylmethoxycarbonyl-5-oxazolidinyl]-2-propenoic acid
IUPAC NAME: (E)-3-[2,2-dimethyl-4-(2-methylpropyl)-3-phenylmethoxycarbonyl-1,3-oxazolidin-5-yl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[2,2-dimethyl-4-(2-methylpropyl)-3-phenylmethoxycarbonyl-1,3-oxazolidin-5-yl]prop-2-enoic acid
MOLECULAR FORMULA: C20H27NO5
MOLECULAR WEIGHT: 361.43208
SMILES: CC(C)CC1C(OC(N1C(=O)OCC2=CC=CC=C2)(C)C)/C=C/C(=O)O
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Product OPENEYE NAME: benzyl 4-(cyclohexylmethyl)-2,2-dimethyl-5-(2-methylenebutanoyloxy)oxazolidine-3-carboxylate
CAS Name: 4-(cyclohexylmethyl)-2,2-dimethyl-5-(2-methylene-1-oxobutoxy)-3-oxazolidinecarboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl 4-(cyclohexylmethyl)-2,2-dimethyl-5-(2-methylidenebutanoyloxy)-1,3-oxazolidine-3-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 4-(cyclohexylmethyl)-2,2-dimethyl-5-(2-methylidenebutanoyloxy)-1,3-oxazolidine-3-carboxylate
MOLECULAR FORMULA: C25H35NO5
MOLECULAR WEIGHT: 429.5491
SMILES: CCC(=C)C(=O)OC1C(N(C(O1)(C)C)C(=O)OCC2=CC=CC=C2)CC3CCCCC3
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Product OPENEYE NAME: (E)-4-benzyloxy-3-[4-(cyclohexylmethyl)-2,2-dimethyl-oxazolidin-5-yl]-2-ethyl-4-oxo-but-2-enoic acid
CAS Name: (E)-3-[4-(cyclohexylmethyl)-2,2-dimethyl-5-oxazolidinyl]-2-ethyl-4-oxo-4-phenylmethoxy-2-butenoic acid
IUPAC NAME: (E)-3-[4-(cyclohexylmethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]-2-ethyl-4-oxo-4-phenylmethoxybut-2-enoic acid
SYSTEMATIC NAME: (E)-3-[4-(cyclohexylmethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]-2-ethyl-4-oxidanylidene-4-phenylmethoxy-but-2-enoic acid
MOLECULAR FORMULA: C25H35NO5
MOLECULAR WEIGHT: 429.5491
SMILES: CC/C(=C(/C1C(NC(O1)(C)C)CC2CCCCC2)\C(=O)OCC3=CC=CC=C3)/C(=O)O
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Product OPENEYE NAME: (E)-3-[2-[2-(benzyloxycarbonylamino)propanoyl-(1-naphthyl)amino]hexanoylamino]-2-ethyl-4-hydroxy-7-methyl-oct-2-enoic acid
CAS Name: (E)-2-ethyl-4-hydroxy-7-methyl-3-[[2-[1-naphthalenyl-[1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-1-oxohexyl]amino]-2-octenoic acid
IUPAC NAME: (E)-2-ethyl-4-hydroxy-7-methyl-3-[2-[naphthalen-1-yl-[2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoylamino]oct-2-enoic acid
SYSTEMATIC NAME: (E)-2-ethyl-7-methyl-3-[2-[naphthalen-1-yl-[2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoylamino]-4-oxidanyl-oct-2-enoic acid
MOLECULAR FORMULA: C38H49N3O7
MOLECULAR WEIGHT: 659.81156
SMILES: CCCCC(C(=O)N/C(=C(\CC)/C(=O)O)/C(CCC(C)C)O)N(C1=CC=CC2=CC=CC=C21)C(=O)C(C)NC(=O)OCC3=CC=CC=C3
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Product OPENEYE NAME: (E)-4-benzyloxy-2-ethyl-3-(4-isobutyl-2,2-dimethyl-oxazolidin-5-yl)-4-oxo-but-2-enoic acid
CAS Name: (E)-3-[2,2-dimethyl-4-(2-methylpropyl)-5-oxazolidinyl]-2-ethyl-4-oxo-4-phenylmethoxy-2-butenoic acid
IUPAC NAME: (E)-3-[2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidin-5-yl]-2-ethyl-4-oxo-4-phenylmethoxybut-2-enoic acid
SYSTEMATIC NAME: (E)-3-[2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidin-5-yl]-2-ethyl-4-oxidanylidene-4-phenylmethoxy-but-2-enoic acid
MOLECULAR FORMULA: C22H31NO5
MOLECULAR WEIGHT: 389.48524
SMILES: CC/C(=C(/C1C(NC(O1)(C)C)CC(C)C)\C(=O)OCC2=CC=CC=C2)/C(=O)O
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Product OPENEYE NAME: benzyl 4-isobutyl-2,2-dimethyl-5-(2-methylenebutanoyloxy)oxazole-3-carboxylate
CAS Name: 2,2-dimethyl-5-(2-methylene-1-oxobutoxy)-4-(2-methylpropyl)-3-oxazolecarboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl 2,2-dimethyl-5-(2-methylidenebutanoyloxy)-4-(2-methylpropyl)-1,3-oxazole-3-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 2,2-dimethyl-5-(2-methylidenebutanoyloxy)-4-(2-methylpropyl)-1,3-oxazole-3-carboxylate
MOLECULAR FORMULA: C22H29NO5
MOLECULAR WEIGHT: 387.46936
SMILES: CCC(=C)C(=O)OC1=C(N(C(O1)(C)C)C(=O)OCC2=CC=CC=C2)CC(C)C
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Product OPENEYE NAME: amino(phenyl)phosphonium
CAS Name: amino(phenyl)phosphonium
IUPAC NAME: amino(phenyl)phosphanium
SYSTEMATIC NAME: azanyl(phenyl)phosphanium
MOLECULAR FORMULA: C6H9NP+
MOLECULAR WEIGHT: 126.116121
SMILES: C1=CC=C(C=C1)[PH2+]N
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Product OPENEYE NAME: aminophosphanylbenzene
CAS Name: aminophosphinobenzene
IUPAC NAME: aminophosphanylbenzene
SYSTEMATIC NAME: azanylphosphanylbenzene
MOLECULAR FORMULA: C6H8NP
MOLECULAR WEIGHT: 125.108181
SMILES: C1=CC=C(C=C1)PN
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Product OPENEYE NAME: 2-(1-amino-2,2-dimethyl-propyl)aniline
CAS Name: 2-(1-amino-2,2-dimethylpropyl)aniline
IUPAC NAME: 2-(1-amino-2,2-dimethylpropyl)aniline
SYSTEMATIC NAME: 2-(1-azanyl-2,2-dimethyl-propyl)aniline
MOLECULAR FORMULA: C11H18N2
MOLECULAR WEIGHT: 178.27402
SMILES: CC(C)(C)C(C1=CC=CC=C1N)N
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Product OPENEYE NAME: 2-[(tert-butylamino)methyl]aniline
CAS Name: 2-[(tert-butylamino)methyl]aniline
IUPAC NAME: 2-[(tert-butylamino)methyl]aniline
SYSTEMATIC NAME: 2-[(tert-butylamino)methyl]aniline
MOLECULAR FORMULA: C11H18N2
MOLECULAR WEIGHT: 178.27402
SMILES: CC(C)(C)NCC1=CC=CC=C1N
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Product OPENEYE NAME: N-(1-methylpiperidin-1-ium-1-yl)-N-(1-phenylethyl)carbamothioate
CAS Name: N-(1-methyl-1-piperidin-1-iumyl)-N-(1-phenylethyl)carbamothioate
IUPAC NAME: N-(1-methylpiperidin-1-ium-1-yl)-N-(1-phenylethyl)carbamothioate
SYSTEMATIC NAME: N-(1-methylpiperidin-1-ium-1-yl)-N-(1-phenylethyl)carbamothioate
MOLECULAR FORMULA: C15H22N2OS
MOLECULAR WEIGHT: 278.41298
SMILES: CC(C1=CC=CC=C1)N(C(=S)[O-])[N+]2(CCCCC2)C
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Product OPENEYE NAME: (1-methylpiperidin-1-ium-1-yl)-(1-phenylethyl)carbamothioic S-acid
CAS Name: (1-methyl-1-piperidin-1-iumyl)-(1-phenylethyl)carbamothioic S-acid
IUPAC NAME: (1-methylpiperidin-1-ium-1-yl)-(1-phenylethyl)carbamothioic S-acid
SYSTEMATIC NAME: (1-methylpiperidin-1-ium-1-yl)-(1-phenylethyl)carbamothioic S-acid
MOLECULAR FORMULA: C15H23N2OS+
MOLECULAR WEIGHT: 279.42092
SMILES: CC(C1=CC=CC=C1)N(C(=O)S)[N+]2(CCCCC2)C
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Product OPENEYE NAME: (E)-11-(3-pentyloxiran-2-yl)undec-9-enoic acid; S-propyl N,N-dipropylcarbamothioate
CAS Name: N,N-dipropylcarbamothioic acid S-propyl ester; (E)-11-(3-pentyl-2-oxiranyl)-9-undecenoic acid
IUPAC NAME: (E)-11-(3-pentyloxiran-2-yl)undec-9-enoic acid; S-propyl N,N-dipropylcarbamothioate
SYSTEMATIC NAME: (E)-11-(3-pentyloxiran-2-yl)undec-9-enoic acid; S-propyl N,N-dipropylcarbamothioate
MOLECULAR FORMULA: C28H53NO4S
MOLECULAR WEIGHT: 499.78972
SMILES: CCCCCC1C(O1)C/C=C/CCCCCCCC(=O)O.CCCN(CCC)C(=O)SCCC
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