5-cyano-6-methyl-2-oxidanylidene-4-(2-phenylmethoxyphenyl)-1,4-dihydropyrimidine-3-carboxylic acid

Systemtic Name: 5-cyano-6-methyl-2-oxidanylidene-4-(2-phenylmethoxyphenyl)-1,4-dihydropyrimidine-3-carboxylic acid Openeye Name: 4-(2-benzyloxyphenyl)-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid CAS Name: 5-cyano-6-methyl-2-oxo-4-(2-phenylmethoxyphenyl)-1,4-dihydropyrimidine-3-carboxylic acid IUPAC Name: 5-cyano-6-methyl-2-oxo-4-(2-phenylmethoxyphenyl)-1,4-dihydropyrimidine-3-carboxylic acid Traditional Name: 4-(2-benzoxyphenyl)-5-cyano-2-keto-6-methyl-1,4-dihydropyrimidine-3-carboxylic acid Formula: C20H17N3O4 MolecularWeight: 363.36668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)O)C2=CC=CC=C2OCC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)O)C2=CC=CC=C2OCC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H17N3O4/c1-13-16(11-21)18(23(20(25)26)19(24)22-13)15-9-5-6-10-17(15)27-12-14-7-3-2-4-8-14/h2-10,18H,12H2,1H3,(H,22,24)(H,25,26)