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

Systemtic Name: methyl 5-[3-(4-methoxycarbonyl-4-phenyl-piperidin-1-yl)propylcarbamoyl]-6-methyl-4-(4-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylate Openeye Name: methyl 5-[3-(4-methoxycarbonyl-4-phenyl-1-piperidyl)propylcarbamoyl]-6-methyl-4-(4-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-3-carboxylate CAS Name: 5-[[3-(4-methoxycarbonyl-4-phenyl-1-piperidinyl)propylamino]-oxomethyl]-6-methyl-4-(4-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[3-(4-methoxycarbonyl-4-phenylpiperidin-1-yl)propylcarbamoyl]-6-methyl-4-(4-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-3-carboxylate Traditional Name: 5-[3-(4-carbomethoxy-4-phenyl-piperidino)propylcarbamoyl]-2-keto-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimidine-3-carboxylic acid methyl ester Formula: C30H35N5O8 MolecularWeight: 593.6276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCCCN3CCC(CC3)(C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCCCN3CCC(CC3)(C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C30H35N5O8/c1-20-24(25(34(28(38)32-20)29(39)43-3)21-10-12-23(13-11-21)35(40)41)26(36)31-16-7-17-33-18-14-30(15-19-33,27(37)42-2)22-8-5-4-6-9-22/h4-6,8-13,25H,7,14-19H2,1-3H3,(H,31,36)(H,32,38)