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

Systemtic Name: ethyl 3-butyl-6-[3-(octanoylamino)phenyl]-2-oxidanylidene-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-butyl-6-[3-(octanoylamino)phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-2-oxo-6-[3-(1-oxooctylamino)phenyl]-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-butyl-6-[3-(octanoylamino)phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-6-[3-(caprylylamino)phenyl]-2-keto-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C31H41N3O4 MolecularWeight: 519.67494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H41N3O4/c1-4-7-9-10-14-20-26(35)32-25-19-15-18-24(22-25)28-27(30(36)38-6-3)29(23-16-12-11-13-17-23)34(21-8-5-2)31(37)33-28/h11-13,15-19,22,28H,4-10,14,20-21H2,1-3H3,(H,32,35)(H,33,37)