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

Systemtic Name: ethyl 3-butyl-6-[3-(3-cyclopentylpropanoylamino)phenyl]-2-oxidanylidene-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-butyl-6-[3-(3-cyclopentylpropanoylamino)phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-6-[3-[(3-cyclopentyl-1-oxopropyl)amino]phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-butyl-6-[3-(3-cyclopentylpropanoylamino)phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-6-[3-(3-cyclopentylpropanoylamino)phenyl]-2-keto-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C31H39N3O4 MolecularWeight: 517.65906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)CCC3CCCC3)C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)CCC3CCCC3)C(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C31H39N3O4/c1-3-5-20-34-29(23-14-7-6-8-15-23)27(30(36)38-4-2)28(33-31(34)37)24-16-11-17-25(21-24)32-26(35)19-18-22-12-9-10-13-22/h6-8,11,14-17,21-22,28H,3-5,9-10,12-13,18-20H2,1-2H3,(H,32,35)(H,33,37)