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

Systemtic Name: ethyl 6-[3-[(4-butylphenyl)carbonylamino]phenyl]-2-oxidanylidene-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[3-[(4-butylbenzoyl)amino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[[(4-butylphenyl)-oxomethyl]amino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-[(4-butylbenzoyl)amino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-[(4-butylbenzoyl)amino]phenyl]-2-keto-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C33H37N3O4 MolecularWeight: 539.66458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=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

CCCCC1=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/C33H37N3O4/c1-4-7-12-23-17-19-25(20-18-23)31(37)34-27-16-11-15-26(22-27)29-28(32(38)40-6-3)30(24-13-9-8-10-14-24)36(21-5-2)33(39)35-29/h8-11,13-20,22,29H,4-7,12,21H2,1-3H3,(H,34,37)(H,35,39)