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

Systemtic Name: ethyl 3-butyl-6-[3-(2,2-dimethylpropanoylamino)phenyl]-2-oxidanylidene-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-butyl-6-[3-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-6-[3-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-butyl-6-[3-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-2-keto-4-phenyl-6-[3-(pivaloylamino)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)C(C)(C)C)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O4/c1-6-8-17-31-24(19-13-10-9-11-14-19)22(25(32)35-7-2)23(30-27(31)34)20-15-12-16-21(18-20)29-26(33)28(3,4)5/h9-16,18,23H,6-8,17H2,1-5H3,(H,29,33)(H,30,34)