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

Systemtic Name: ethyl 3-butyl-2-oxidanylidene-4-phenyl-6-[3-(propanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-butyl-2-oxo-4-phenyl-6-[3-(propanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-2-oxo-6-[3-(1-oxopropylamino)phenyl]-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-butyl-2-oxo-4-phenyl-6-[3-(propanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-2-keto-4-phenyl-6-(3-propionamidophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O4/c1-4-7-16-29-24(18-12-9-8-10-13-18)22(25(31)33-6-3)23(28-26(29)32)19-14-11-15-20(17-19)27-21(30)5-2/h8-15,17,23H,4-7,16H2,1-3H3,(H,27,30)(H,28,32)