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

Systemtic Name: 2-methylpropyl 4-methyl-6-[3-(octanoylamino)phenyl]-2-oxidanylidene-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 4-methyl-6-[3-(octanoylamino)phenyl]-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-methyl-2-oxo-6-[3-(1-oxooctylamino)phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-methyl-6-[3-(octanoylamino)phenyl]-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-(caprylylamino)phenyl]-2-keto-4-methyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C27H41N3O4 MolecularWeight: 471.63214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=CC=CC(=C1)C2C(=C(N(C(=O)N2)CCC)C)C(=O)OCC(C)C

Isomeric SMILES

CCCCCCCC(=O)NC1=CC=CC(=C1)C2C(=C(N(C(=O)N2)CCC)C)C(=O)OCC(C)C

InChI

InChI=1S/C27H41N3O4/c1-6-8-9-10-11-15-23(31)28-22-14-12-13-21(17-22)25-24(26(32)34-18-19(3)4)20(5)30(16-7-2)27(33)29-25/h12-14,17,19,25H,6-11,15-16,18H2,1-5H3,(H,28,31)(H,29,33)