ethyl 6-[3-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[3-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[3-(3-methylbutanoylamino)phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(3-methylbutanoylamino)phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-(isovalerylamino)phenyl]-2-keto-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)CC(C)C)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)CC(C)C)C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C27H33N3O4/c1-5-15-30-25(19-11-8-7-9-12-19)23(26(32)34-6-2)24(29-27(30)33)20-13-10-14-21(17-20)28-22(31)16-18(3)4/h7-14,17-18,24H,5-6,15-16H2,1-4H3,(H,28,31)(H,29,33)