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

Systemtic Name: ethyl 3-butyl-6-[3-[(4-hexylphenyl)carbonylamino]phenyl]-2-oxidanylidene-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-butyl-6-[3-[(4-hexylbenzoyl)amino]phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-6-[3-[[(4-hexylphenyl)-oxomethyl]amino]phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-butyl-6-[3-[(4-hexylbenzoyl)amino]phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-6-[3-[(4-hexylbenzoyl)amino]phenyl]-2-keto-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C36H43N3O4 MolecularWeight: 581.74432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3C(=C(N(C(=O)N3)CCCC)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3C(=C(N(C(=O)N3)CCCC)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C36H43N3O4/c1-4-7-9-11-15-26-20-22-28(23-21-26)34(40)37-30-19-14-18-29(25-30)32-31(35(41)43-6-3)33(27-16-12-10-13-17-27)39(24-8-5-2)36(42)38-32/h10,12-14,16-23,25,32H,4-9,11,15,24H2,1-3H3,(H,37,40)(H,38,42)