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

Systemtic Name: ethyl 3-butyl-6-[3-(hexanoylamino)phenyl]-2-oxidanylidene-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-butyl-6-[3-(hexanoylamino)phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-2-oxo-6-[3-(1-oxohexylamino)phenyl]-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-butyl-6-[3-(hexanoylamino)phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-6-[3-(caproylamino)phenyl]-2-keto-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C29H37N3O4 MolecularWeight: 491.62178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=CC(=C1)C2C(=C(N(C(=O)N2)CCCC)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCCCC(=O)NC1=CC=CC(=C1)C2C(=C(N(C(=O)N2)CCCC)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C29H37N3O4/c1-4-7-10-18-24(33)30-23-17-13-16-22(20-23)26-25(28(34)36-6-3)27(21-14-11-9-12-15-21)32(19-8-5-2)29(35)31-26/h9,11-17,20,26H,4-8,10,18-19H2,1-3H3,(H,30,33)(H,31,35)