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

Systemtic Name: methyl 6-[3-[(4-hexylphenyl)carbonylamino]phenyl]-4-methyl-2-oxidanylidene-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-[3-[(4-hexylbenzoyl)amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[[(4-hexylphenyl)-oxomethyl]amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-[3-[(4-hexylbenzoyl)amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-[(4-hexylbenzoyl)amino]phenyl]-2-keto-4-methyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C29H37N3O4 MolecularWeight: 491.62178

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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)CCC)C)C(=O)OC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3C(=C(N(C(=O)N3)CCC)C)C(=O)OC

InChI

InChI=1S/C29H37N3O4/c1-5-7-8-9-11-21-14-16-22(17-15-21)27(33)30-24-13-10-12-23(19-24)26-25(28(34)36-4)20(3)32(18-6-2)29(35)31-26/h10,12-17,19,26H,5-9,11,18H2,1-4H3,(H,30,33)(H,31,35)