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

Systemtic Name: 3-[3-(4-methoxycarbonyl-4-phenyl-piperidin-1-yl)propylcarbamoyl]-6-methyl-4-(4-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 3-[3-(4-methoxycarbonyl-4-phenyl-1-piperidyl)propylcarbamoyl]-6-methyl-4-(4-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid 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 IUPAC Name: 3-[3-(4-methoxycarbonyl-4-phenylpiperidin-1-yl)propylcarbamoyl]-6-methyl-4-(4-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 3-[3-(4-carbomethoxy-4-phenyl-piperidino)propylcarbamoyl]-2-keto-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C29H33N5O8 MolecularWeight: 579.60102

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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)O

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)O

InChI

InChI=1S/C29H33N5O8/c1-19-23(25(35)36)24(20-9-11-22(12-10-20)34(40)41)33(28(39)31-19)27(38)30-15-6-16-32-17-13-29(14-18-32,26(37)42-2)21-7-4-3-5-8-21/h3-5,7-12,24H,6,13-18H2,1-2H3,(H,30,38)(H,31,39)(H,35,36)