2-methylpropyl 4-methyl-2-oxidanylidene-6-[3-[(4-pentylphenyl)carbonylamino]phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 4-methyl-2-oxidanylidene-6-[3-[(4-pentylphenyl)carbonylamino]phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 4-methyl-2-oxo-6-[3-[(4-pentylbenzoyl)amino]phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-methyl-2-oxo-6-[3-[[oxo-(4-pentylphenyl)methyl]amino]phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-methyl-2-oxo-6-[3-[(4-pentylbenzoyl)amino]phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-[(4-amylbenzoyl)amino]phenyl]-2-keto-4-methyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C31H41N3O4 MolecularWeight: 519.67494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3C(=C(N(C(=O)N3)CCC)C)C(=O)OCC(C)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3C(=C(N(C(=O)N3)CCC)C)C(=O)OCC(C)C

InChI

InChI=1S/C31H41N3O4/c1-6-8-9-11-23-14-16-24(17-15-23)29(35)32-26-13-10-12-25(19-26)28-27(30(36)38-20-21(3)4)22(5)34(18-7-2)31(37)33-28/h10,12-17,19,21,28H,6-9,11,18,20H2,1-5H3,(H,32,35)(H,33,37)