methyl 1-[3-[[5-aminocarbonyl-6-methyl-4-(4-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidin-3-yl]carbonylamino]propyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-[[5-aminocarbonyl-6-methyl-4-(4-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidin-3-yl]carbonylamino]propyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[3-[[5-carbamoyl-6-methyl-4-(4-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-3-carbonyl]amino]propyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[3-[[[5-carbamoyl-6-methyl-4-(4-nitrophenyl)-2-oxo-1,4-dihydropyrimidin-3-yl]-oxomethyl]amino]propyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-[[5-carbamoyl-6-methyl-4-(4-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-3-carbonyl]amino]propyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[3-[[5-carbamoyl-2-keto-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimidine-3-carbonyl]amino]propyl]-4-phenyl-isonipecotic acid methyl ester Formula: C29H34N6O7 MolecularWeight: 578.61626

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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)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)N

InChI

InChI=1S/C29H34N6O7/c1-19-23(25(30)36)24(20-9-11-22(12-10-20)35(40)41)34(28(39)32-19)27(38)31-15-6-16-33-17-13-29(14-18-33,26(37)42-2)21-7-4-3-5-8-21/h3-5,7-12,24H,6,13-18H2,1-2H3,(H2,30,36)(H,31,38)(H,32,39)