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

Systemtic Name: ethyl 6-[4-[(4-hexylphenyl)carbonylamino]phenyl]-2-oxidanylidene-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[4-[(4-hexylbenzoyl)amino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[[(4-hexylphenyl)-oxomethyl]amino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[(4-hexylbenzoyl)amino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-[(4-hexylbenzoyl)amino]phenyl]-2-keto-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C35H41N3O4 MolecularWeight: 567.71774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H41N3O4/c1-4-7-8-10-13-25-16-18-28(19-17-25)33(39)36-29-22-20-26(21-23-29)31-30(34(40)42-6-3)32(27-14-11-9-12-15-27)38(24-5-2)35(41)37-31/h9,11-12,14-23,31H,4-8,10,13,24H2,1-3H3,(H,36,39)(H,37,41)