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

Systemtic Name: ethyl 6-(3-benzamidophenyl)-3-butyl-2-oxidanylidene-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(3-benzamidophenyl)-3-butyl-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-benzamidophenyl)-3-butyl-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3-benzamidophenyl)-3-butyl-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-benzamidophenyl)-3-butyl-2-keto-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C30H31N3O4 MolecularWeight: 497.58484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C30H31N3O4/c1-3-5-19-33-27(21-13-8-6-9-14-21)25(29(35)37-4-2)26(32-30(33)36)23-17-12-18-24(20-23)31-28(34)22-15-10-7-11-16-22/h6-18,20,26H,3-5,19H2,1-2H3,(H,31,34)(H,32,36)