Wednesday, March 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-oxo-2-(2-oxo-1-imidazolidinyl)ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-oxidanylidene-2-(2-oxidanylideneimidazolidin-1-yl)ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C12H20N3O4+
MOLECULAR WEIGHT: 270.3049
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)N2CCNC2=O
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Product OPENEYE NAME: methyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-oxo-2-(2-oxo-1-imidazolidinyl)ethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-oxidanylidene-2-(2-oxidanylideneimidazolidin-1-yl)ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C12H19N3O4
MOLECULAR WEIGHT: 269.29696
SMILES: COC(=O)C1CCN(CC1)CC(=O)N2CCNC2=O
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Product OPENEYE NAME: methyl 1-[(3-cyanophenyl)methyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[(3-cyanophenyl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(3-cyanophenyl)methyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(3-cyanophenyl)methyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C15H19N2O2+
MOLECULAR WEIGHT: 259.32356
SMILES: COC(=O)C1CC[NH+](CC1)CC2=CC=CC(=C2)C#N
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Product OPENEYE NAME: methyl 1-[(3-cyanophenyl)methyl]piperidine-4-carboxylate
CAS Name: 1-[(3-cyanophenyl)methyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(3-cyanophenyl)methyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(3-cyanophenyl)methyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C15H18N2O2
MOLECULAR WEIGHT: 258.31562
SMILES: COC(=O)C1CCN(CC1)CC2=CC=CC(=C2)C#N
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(4-methyl-2-oxo-chromen-7-yl)oxyacetate
CAS Name: 2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid [(2S)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoate
MOLECULAR FORMULA: C21H23N3O6
MOLECULAR WEIGHT: 413.42382
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)O[C@@H](C)C(=O)NC3=C(N(N=C3C)C)C
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Product OPENEYE NAME: methyl 1-[[4-[(4-chloro-3-methyl-phenyl)carbamoyl]phenyl]methyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[[4-[(4-chloro-3-methylanilino)-oxomethyl]phenyl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[[4-[(4-chloro-3-methylphenyl)carbamoyl]phenyl]methyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[[4-[(4-chloranyl-3-methyl-phenyl)carbamoyl]phenyl]methyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C22H26ClN2O3+
MOLECULAR WEIGHT: 401.90644
SMILES: CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCC(CC3)C(=O)OC)Cl
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Product OPENEYE NAME: methyl 1-[[4-[(4-chloro-3-methyl-phenyl)carbamoyl]phenyl]methyl]piperidine-4-carboxylate
CAS Name: 1-[[4-[(4-chloro-3-methylanilino)-oxomethyl]phenyl]methyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[[4-[(4-chloro-3-methylphenyl)carbamoyl]phenyl]methyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[[4-[(4-chloranyl-3-methyl-phenyl)carbamoyl]phenyl]methyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C22H25ClN2O3
MOLECULAR WEIGHT: 400.8985
SMILES: CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3CCC(CC3)C(=O)OC)Cl
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Product OPENEYE NAME: [2-(2-methoxycarbonylanilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(2-methoxycarbonylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(2-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H17NO6
MOLECULAR WEIGHT: 367.35208
SMILES: COC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: 1-(3-chloro-4-methyl-phenyl)-3-(3-isopropoxypropyl)thiourea
CAS Name: 1-(3-chloro-4-methylphenyl)-3-(3-propan-2-yloxypropyl)thiourea
IUPAC NAME: 1-(3-chloro-4-methylphenyl)-3-(3-propan-2-yloxypropyl)thiourea
SYSTEMATIC NAME: 1-(3-chloranyl-4-methyl-phenyl)-3-(3-propan-2-yloxypropyl)thiourea
MOLECULAR FORMULA: C14H21ClN2OS
MOLECULAR WEIGHT: 300.84734
SMILES: CC1=C(C=C(C=C1)NC(=S)NCCCOC(C)C)Cl
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(4-methyl-2-oxo-chromen-7-yl)oxyacetate
CAS Name: 2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid [(2R)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoate
MOLECULAR FORMULA: C21H23N3O6
MOLECULAR WEIGHT: 413.42382
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)O[C@H](C)C(=O)NC3=C(N(N=C3C)C)C
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Product OPENEYE NAME: methyl 1-[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H21ClN5O3+
MOLECULAR WEIGHT: 378.83334
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3
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Product OPENEYE NAME: methyl 1-[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H20ClN5O3
MOLECULAR WEIGHT: 377.8254
SMILES: COC(=O)C1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3
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Product OPENEYE NAME: [2-(4-acetylanilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(4-acetylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(4-acetylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H17NO5
MOLECULAR WEIGHT: 351.35268
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: methyl 1-[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C20H29FN3O4+
MOLECULAR WEIGHT: 394.460363
SMILES: CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)C[NH+]2CCC(CC2)C(=O)OC
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