(3-cyanophenyl)methyl 6-[(3-acetamidophenoxy)methyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 6-[(3-acetamidophenoxy)methyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (3-cyanophenyl)methyl 6-[(3-acetamidophenoxy)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(3-acetamidophenoxy)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 6-[(3-acetamidophenoxy)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(3-acetamidophenoxy)methyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3-cyanobenzyl) ester Formula: C28H24N4O5 MolecularWeight: 496.51396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)OCC2=C(C(NC(=O)N2)C3=CC=CC=C3)C(=O)OCC4=CC=CC(=C4)C#N

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)OCC2=C(C(NC(=O)N2)C3=CC=CC=C3)C(=O)OCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C28H24N4O5/c1-18(33)30-22-11-6-12-23(14-22)36-17-24-25(26(32-28(35)31-24)21-9-3-2-4-10-21)27(34)37-16-20-8-5-7-19(13-20)15-29/h2-14,26H,16-17H2,1H3,(H,30,33)(H2,31,32,35)