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

Systemtic Name: ethyl 3-butyl-6-[3-(decanoylamino)phenyl]-2-oxidanylidene-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-butyl-6-[3-(decanoylamino)phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-2-oxo-6-[3-(1-oxodecylamino)phenyl]-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-butyl-6-[3-(decanoylamino)phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-6-[3-(caprylamino)phenyl]-2-keto-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C33H45N3O4 MolecularWeight: 547.7281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H45N3O4/c1-4-7-9-10-11-12-16-22-28(37)34-27-21-17-20-26(24-27)30-29(32(38)40-6-3)31(25-18-14-13-15-19-25)36(23-8-5-2)33(39)35-30/h13-15,17-21,24,30H,4-12,16,22-23H2,1-3H3,(H,34,37)(H,35,39)