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

Systemtic Name: ethyl 6-[3-[(4-butylphenyl)carbonylamino]phenyl]-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[3-[(4-butylbenzoyl)amino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[[(4-butylphenyl)-oxomethyl]amino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-[(4-butylbenzoyl)amino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-[(4-butylbenzoyl)amino]phenyl]-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C26H31N3O4 MolecularWeight: 449.54204

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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)C)C)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3C(=C(N(C(=O)N3)C)C)C(=O)OCC

InChI

InChI=1S/C26H31N3O4/c1-5-7-9-18-12-14-19(15-13-18)24(30)27-21-11-8-10-20(16-21)23-22(25(31)33-6-2)17(3)29(4)26(32)28-23/h8,10-16,23H,5-7,9H2,1-4H3,(H,27,30)(H,28,32)