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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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