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

Systemtic Name: ethyl 6-[3-(butanoylamino)phenyl]-3-butyl-2-oxidanylidene-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[3-(butanoylamino)phenyl]-3-butyl-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-2-oxo-6-[3-(1-oxobutylamino)phenyl]-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(butanoylamino)phenyl]-3-butyl-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-6-(3-butyramidophenyl)-2-keto-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O4/c1-4-7-17-30-25(19-13-9-8-10-14-19)23(26(32)34-6-3)24(29-27(30)33)20-15-11-16-21(18-20)28-22(31)12-5-2/h8-11,13-16,18,24H,4-7,12,17H2,1-3H3,(H,28,31)(H,29,33)