(phenylmethyl) 3,4-dimethyl-2-oxidanylidene-6-(4-phenylmethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 3,4-dimethyl-2-oxidanylidene-6-(4-phenylmethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: benzyl 6-(4-benzyloxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-2-oxo-6-(4-phenylmethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3,4-dimethyl-2-oxo-6-(4-phenylmethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-benzoxyphenyl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid benzyl ester Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(NC(=O)N1C)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O4/c1-19-24(26(30)33-18-21-11-7-4-8-12-21)25(28-27(31)29(19)2)22-13-15-23(16-14-22)32-17-20-9-5-3-6-10-20/h3-16,25H,17-18H2,1-2H3,(H,28,31)