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

Systemtic Name: methyl 6-ethyl-3-[3-(4-methoxycarbonyl-4-phenyl-piperidin-1-yl)propylcarbamoyl]-4-(4-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-ethyl-3-[3-(4-methoxycarbonyl-4-phenyl-1-piperidyl)propylcarbamoyl]-4-(4-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 6-ethyl-3-[[3-(4-methoxycarbonyl-4-phenyl-1-piperidinyl)propylamino]-oxomethyl]-4-(4-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-ethyl-3-[3-(4-methoxycarbonyl-4-phenylpiperidin-1-yl)propylcarbamoyl]-4-(4-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 3-[3-(4-carbomethoxy-4-phenyl-piperidino)propylcarbamoyl]-6-ethyl-2-keto-4-(4-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C31H37N5O8 MolecularWeight: 607.65418

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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)OC

Isomeric SMILES

CCC1=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)OC

InChI

InChI=1S/C31H37N5O8/c1-4-24-25(27(37)43-2)26(21-11-13-23(14-12-21)36(41)42)35(30(40)33-24)29(39)32-17-8-18-34-19-15-31(16-20-34,28(38)44-3)22-9-6-5-7-10-22/h5-7,9-14,26H,4,8,15-20H2,1-3H3,(H,32,39)(H,33,40)