(phenylmethyl) 4-(3-methylphenyl)-2-oxidanylidene-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 4-(3-methylphenyl)-2-oxidanylidene-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzyl 4-(m-tolyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-methylphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-methylphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-(m-tolyl)-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid benzyl ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=O)N1)C2=CC(=CC=C2)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCC1=C(C(NC(=O)N1)C2=CC(=CC=C2)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O3/c1-3-8-18-19(21(25)27-14-16-10-5-4-6-11-16)20(24-22(26)23-18)17-12-7-9-15(2)13-17/h4-7,9-13,20H,3,8,14H2,1-2H3,(H2,23,24,26)