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

Systemtic Name: propan-2-yl 3-[3-[(4-ethylphenyl)carbonyl-methyl-amino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 3-[3-[(4-ethylbenzoyl)-methyl-amino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 3-[3-[[(4-ethylphenyl)-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-[(4-ethylbenzoyl)-methylamino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 3-[3-[(4-ethylbenzoyl)-methyl-amino]propyl]-2-keto-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C28H34N4O6 MolecularWeight: 522.59276

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N(C)CCCN2C(C(=C(NC2=O)C)C(=O)OC(C)C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N(C)CCCN2C(C(=C(NC2=O)C)C(=O)OC(C)C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C28H34N4O6/c1-6-20-11-13-21(14-12-20)26(33)30(5)15-8-16-31-25(22-9-7-10-23(17-22)32(36)37)24(19(4)29-28(31)35)27(34)38-18(2)3/h7,9-14,17-18,25H,6,8,15-16H2,1-5H3,(H,29,35)