ethyl 3-hexanoyl-6-methyl-2-oxidanylidene-4-phenyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-hexanoyl-6-methyl-2-oxidanylidene-4-phenyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-hexanoyl-6-methyl-2-oxo-4-phenyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 6-methyl-2-oxo-3-(1-oxohexyl)-4-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-hexanoyl-6-methyl-2-oxo-4-phenyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 3-caproyl-2-keto-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H26N2O4 MolecularWeight: 358.43144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1C(C(=C(NC1=O)C)C(=O)OCC)C2=CC=CC=C2

Isomeric SMILES

CCCCCC(=O)N1C(C(=C(NC1=O)C)C(=O)OCC)C2=CC=CC=C2

InChI

InChI=1S/C20H26N2O4/c1-4-6-8-13-16(23)22-18(15-11-9-7-10-12-15)17(19(24)26-5-2)14(3)21-20(22)25/h7,9-12,18H,4-6,8,13H2,1-3H3,(H,21,25)