2-methylpropyl 3-butyl-6-[3-[(4-hexylphenyl)carbonylamino]phenyl]-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 3-butyl-6-[3-[(4-hexylphenyl)carbonylamino]phenyl]-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 3-butyl-6-[3-[(4-hexylbenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-6-[3-[[(4-hexylphenyl)-oxomethyl]amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-butyl-6-[3-[(4-hexylbenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-6-[3-[(4-hexylbenzoyl)amino]phenyl]-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C33H45N3O4 MolecularWeight: 547.7281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H45N3O4/c1-6-8-10-11-13-25-16-18-26(19-17-25)31(37)34-28-15-12-14-27(21-28)30-29(32(38)40-22-23(3)4)24(5)36(20-9-7-2)33(39)35-30/h12,14-19,21,23,30H,6-11,13,20,22H2,1-5H3,(H,34,37)(H,35,39)