propan-2-yl 3-[3-[[1-(4-chlorophenyl)cyclopentyl]carbonyl-methyl-amino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 3-[3-[[1-(4-chlorophenyl)cyclopentyl]carbonyl-methyl-amino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 3-[3-[[1-(4-chlorophenyl)cyclopentanecarbonyl]-methyl-amino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 3-[3-[[[1-(4-chlorophenyl)cyclopentyl]-oxomethyl]-methylamino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[3-[[1-(4-chlorophenyl)cyclopentanecarbonyl]-methylamino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 3-[3-[[1-(4-chlorophenyl)cyclopentanecarbonyl]-methyl-amino]propyl]-2-keto-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C31H37ClN4O6 MolecularWeight: 597.10168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)CCCN(C)C(=O)C2(CCCC2)C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(N(C(=O)N1)CCCN(C)C(=O)C2(CCCC2)C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC(C)C

InChI

InChI=1S/C31H37ClN4O6/c1-20(2)42-28(37)26-21(3)33-30(39)35(27(26)22-9-7-10-25(19-22)36(40)41)18-8-17-34(4)29(38)31(15-5-6-16-31)23-11-13-24(32)14-12-23/h7,9-14,19-20,27H,5-6,8,15-18H2,1-4H3,(H,33,39)