ethyl 5-cyano-6-methyl-2-oxidanylidene-4-(3-phenylmethoxyphenyl)-1,4-dihydropyrimidine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-methyl-2-oxidanylidene-4-(3-phenylmethoxyphenyl)-1,4-dihydropyrimidine-3-carboxylate Openeye Name: ethyl 4-(3-benzyloxyphenyl)-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylate CAS Name: 5-cyano-6-methyl-2-oxo-4-(3-phenylmethoxyphenyl)-1,4-dihydropyrimidine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-methyl-2-oxo-4-(3-phenylmethoxyphenyl)-1,4-dihydropyrimidine-3-carboxylate Traditional Name: 4-(3-benzoxyphenyl)-5-cyano-2-keto-6-methyl-1,4-dihydropyrimidine-3-carboxylic acid ethyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(C(=C(NC1=O)C)C#N)C2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1C(C(=C(NC1=O)C)C#N)C2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O4/c1-3-28-22(27)25-20(19(13-23)15(2)24-21(25)26)17-10-7-11-18(12-17)29-14-16-8-5-4-6-9-16/h4-12,20H,3,14H2,1-2H3,(H,24,26)