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

Systemtic Name: ethyl 3-butyl-2-oxidanylidene-6-[3-[(4-pentylphenyl)carbonylamino]phenyl]-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-butyl-2-oxo-6-[3-[(4-pentylbenzoyl)amino]phenyl]-4-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-2-oxo-6-[3-[[oxo-(4-pentylphenyl)methyl]amino]phenyl]-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-butyl-2-oxo-6-[3-[(4-pentylbenzoyl)amino]phenyl]-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-[(4-amylbenzoyl)amino]phenyl]-3-butyl-2-keto-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C35H41N3O4 MolecularWeight: 567.71774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=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

CCCCCC1=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/C35H41N3O4/c1-4-7-10-14-25-19-21-27(22-20-25)33(39)36-29-18-13-17-28(24-29)31-30(34(40)42-6-3)32(26-15-11-9-12-16-26)38(23-8-5-2)35(41)37-31/h9,11-13,15-22,24,31H,4-8,10,14,23H2,1-3H3,(H,36,39)(H,37,41)