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

Systemtic Name: ethyl 2-oxidanylidene-6-[3-[(4-pentylphenyl)carbonylamino]phenyl]-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-6-[3-[(4-pentylbenzoyl)amino]phenyl]-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 2-oxo-6-[3-[[oxo-(4-pentylphenyl)methyl]amino]phenyl]-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-6-[3-[(4-pentylbenzoyl)amino]phenyl]-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-[(4-amylbenzoyl)amino]phenyl]-2-keto-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C34H39N3O4 MolecularWeight: 553.69116

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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)CCC)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)CCC)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C34H39N3O4/c1-4-7-9-13-24-18-20-26(21-19-24)32(38)35-28-17-12-16-27(23-28)30-29(33(39)41-6-3)31(25-14-10-8-11-15-25)37(22-5-2)34(40)36-30/h8,10-12,14-21,23,30H,4-7,9,13,22H2,1-3H3,(H,35,38)(H,36,40)