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

Systemtic Name: ethyl 3-butyl-6-[3-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-butyl-6-[3-(3-methylbutanoylamino)phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-6-[3-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-butyl-6-[3-(3-methylbutanoylamino)phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-6-[3-(isovalerylamino)phenyl]-2-keto-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)CC(C)C)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)CC(C)C)C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C28H35N3O4/c1-5-7-16-31-26(20-12-9-8-10-13-20)24(27(33)35-6-2)25(30-28(31)34)21-14-11-15-22(18-21)29-23(32)17-19(3)4/h8-15,18-19,25H,5-7,16-17H2,1-4H3,(H,29,32)(H,30,34)