O5-ethyl O3-(phenylmethyl) 4-(3-chlorophenyl)-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-(phenylmethyl) 4-(3-chlorophenyl)-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate Openeye Name: O3-benzyl O5-ethyl 4-(3-chlorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxylate CAS Name: 4-(3-chlorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid O5-ethyl ester O3-(phenylmethyl) ester IUPAC Name: 3-O-benzyl 5-O-ethyl 4-(3-chlorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxylate Traditional Name: 4-(3-chlorophenyl)-2-keto-6-methyl-1,4-dihydropyrimidine-3,5-dicarboxylic acid O3-benzyl ester O5-ethyl ester Formula: C22H21ClN2O5 MolecularWeight: 428.86554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)N(C1C2=CC(=CC=C2)Cl)C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N(C1C2=CC(=CC=C2)Cl)C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C22H21ClN2O5/c1-3-29-20(26)18-14(2)24-21(27)25(19(18)16-10-7-11-17(23)12-16)22(28)30-13-15-8-5-4-6-9-15/h4-12,19H,3,13H2,1-2H3,(H,24,27)