2-cyanoethyl 3-[3-(4-methoxycarbonyl-4-phenyl-piperidin-1-yl)propylcarbamoyl]-6-methyl-4-(4-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-cyanoethyl 3-[3-(4-methoxycarbonyl-4-phenyl-piperidin-1-yl)propylcarbamoyl]-6-methyl-4-(4-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 2-cyanoethyl 3-[3-(4-methoxycarbonyl-4-phenyl-1-piperidyl)propylcarbamoyl]-6-methyl-4-(4-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 3-[[3-(4-methoxycarbonyl-4-phenyl-1-piperidinyl)propylamino]-oxomethyl]-6-methyl-4-(4-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl 3-[3-(4-methoxycarbonyl-4-phenylpiperidin-1-yl)propylcarbamoyl]-6-methyl-4-(4-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 3-[3-(4-carbomethoxy-4-phenyl-piperidino)propylcarbamoyl]-2-keto-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid 2-cyanoethyl ester Formula: C32H36N6O8 MolecularWeight: 632.66364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)NCCCN2CCC(CC2)(C3=CC=CC=C3)C(=O)OC)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OCCC#N

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)NCCCN2CCC(CC2)(C3=CC=CC=C3)C(=O)OC)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OCCC#N

InChI

InChI=1S/C32H36N6O8/c1-22-26(28(39)46-21-6-16-33)27(23-10-12-25(13-11-23)38(43)44)37(31(42)35-22)30(41)34-17-7-18-36-19-14-32(15-20-36,29(40)45-2)24-8-4-3-5-9-24/h3-5,8-13,27H,6-7,14-15,17-21H2,1-2H3,(H,34,41)(H,35,42)