Tuesday, March 26, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 1-[(1S)-1-methyl-2-(1-naphthylamino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[(2S)-1-(1-naphthalenylamino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(2S)-1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C20H25N2O3+
MOLECULAR WEIGHT: 341.4241
SMILES: C[C@@H](C(=O)NC1=CC=CC2=CC=CC=C21)[NH+]3CCC(CC3)C(=O)OC
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Product OPENEYE NAME: methyl 1-[(1S)-1-methyl-2-(1-naphthylamino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[(2S)-1-(1-naphthalenylamino)-1-oxopropan-2-yl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(2S)-1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate
MOLECULAR FORMULA: C20H24N2O3
MOLECULAR WEIGHT: 340.41616
SMILES: C[C@@H](C(=O)NC1=CC=CC2=CC=CC=C21)N3CCC(CC3)C(=O)OC
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Product OPENEYE NAME: methyl 1-[(1R)-1-methyl-2-(1-naphthylamino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[(2R)-1-(1-naphthalenylamino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(2R)-1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C20H25N2O3+
MOLECULAR WEIGHT: 341.4241
SMILES: C[C@H](C(=O)NC1=CC=CC2=CC=CC=C21)[NH+]3CCC(CC3)C(=O)OC
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Product OPENEYE NAME: methyl 1-[(1R)-1-methyl-2-(1-naphthylamino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[(2R)-1-(1-naphthalenylamino)-1-oxopropan-2-yl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(2R)-1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate
MOLECULAR FORMULA: C20H24N2O3
MOLECULAR WEIGHT: 340.41616
SMILES: C[C@H](C(=O)NC1=CC=CC2=CC=CC=C21)N3CCC(CC3)C(=O)OC
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Product OPENEYE NAME: [2-(3-methylanilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(3-methylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(3-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C19H17NO4
MOLECULAR WEIGHT: 323.34258
SMILES: CC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(3S)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester
IUPAC NAME: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C18H14N2O4S
MOLECULAR WEIGHT: 354.37976
SMILES: CC1=CSC(=N1)[C@@H](C#N)C(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: methyl 1-[(1R)-2-[ethyl(1-naphthyl)amino]-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[(2R)-1-[ethyl(1-naphthalenyl)amino]-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2R)-1-[ethyl(naphthalen-1-yl)amino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(2R)-1-[ethyl(naphthalen-1-yl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C22H29N2O3+
MOLECULAR WEIGHT: 369.47726
SMILES: CCN(C1=CC=CC2=CC=CC=C21)C(=O)[C@@H](C)[NH+]3CCC(CC3)C(=O)OC
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Product OPENEYE NAME: methyl 1-[(1R)-2-[ethyl(1-naphthyl)amino]-1-methyl-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[(2R)-1-[ethyl(1-naphthalenyl)amino]-1-oxopropan-2-yl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2R)-1-[ethyl(naphthalen-1-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(2R)-1-[ethyl(naphthalen-1-yl)amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate
MOLECULAR FORMULA: C22H28N2O3
MOLECULAR WEIGHT: 368.46932
SMILES: CCN(C1=CC=CC2=CC=CC=C21)C(=O)[C@@H](C)N3CCC(CC3)C(=O)OC
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Product OPENEYE NAME: 1-isopropyl-3-(thiophene-2-carbonylamino)thiourea
CAS Name: 1-[[oxo(thiophen-2-yl)methyl]amino]-3-propan-2-ylthiourea
IUPAC NAME: 1-propan-2-yl-3-(thiophene-2-carbonylamino)thiourea
SYSTEMATIC NAME: 1-propan-2-yl-3-(thiophen-2-ylcarbonylamino)thiourea
MOLECULAR FORMULA: C9H13N3OS2
MOLECULAR WEIGHT: 243.34902
SMILES: CC(C)NC(=S)NNC(=O)C1=CC=CS1
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Product OPENEYE NAME: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(3R)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester
IUPAC NAME: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C18H14N2O4S
MOLECULAR WEIGHT: 354.37976
SMILES: CC1=CSC(=N1)[C@H](C#N)C(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: methyl 1-[(1S)-2-[ethyl(1-naphthyl)amino]-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[(2S)-1-[ethyl(1-naphthalenyl)amino]-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2S)-1-[ethyl(naphthalen-1-yl)amino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(2S)-1-[ethyl(naphthalen-1-yl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C22H29N2O3+
MOLECULAR WEIGHT: 369.47726
SMILES: CCN(C1=CC=CC2=CC=CC=C21)C(=O)[C@H](C)[NH+]3CCC(CC3)C(=O)OC
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Product OPENEYE NAME: methyl 1-[(1S)-2-[ethyl(1-naphthyl)amino]-1-methyl-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[(2S)-1-[ethyl(1-naphthalenyl)amino]-1-oxopropan-2-yl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2S)-1-[ethyl(naphthalen-1-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(2S)-1-[ethyl(naphthalen-1-yl)amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate
MOLECULAR FORMULA: C22H28N2O3
MOLECULAR WEIGHT: 368.46932
SMILES: CCN(C1=CC=CC2=CC=CC=C21)C(=O)[C@H](C)N3CCC(CC3)C(=O)OC
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Product OPENEYE NAME: [2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(2-methoxy-5-methylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H19NO5
MOLECULAR WEIGHT: 353.36856
SMILES: CC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: 1-(2-fluorophenyl)-3-(thiophene-2-carbonylamino)thiourea
CAS Name: 1-(2-fluorophenyl)-3-[[oxo(thiophen-2-yl)methyl]amino]thiourea
IUPAC NAME: 1-(2-fluorophenyl)-3-(thiophene-2-carbonylamino)thiourea
SYSTEMATIC NAME: 1-(2-fluorophenyl)-3-(thiophen-2-ylcarbonylamino)thiourea
MOLECULAR FORMULA: C12H10FN3OS2
MOLECULAR WEIGHT: 295.355703
SMILES: C1=CC=C(C(=C1)NC(=S)NNC(=O)C2=CC=CS2)F
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Product OPENEYE NAME: methyl 1-[(1S)-1-methyl-2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(2S)-1-oxidanylidene-1-[[2,3,4-tris(fluoranyl)phenyl]amino]propan-2-yl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C16H20F3N2O3+
MOLECULAR WEIGHT: 345.33681
SMILES: C[C@@H](C(=O)NC1=C(C(=C(C=C1)F)F)F)[NH+]2CCC(CC2)C(=O)OC
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