methyl 2-[(4-cyanophenyl)carbonyloxymethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[(4-cyanophenyl)carbonyloxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(4-cyanobenzoyl)oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(4-cyanophenyl)-oxomethoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-cyanobenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[(4-cyanobenzoyl)oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C21H16N2O4 MolecularWeight: 360.36274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC=C(C=C3)C#N)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC=C(C=C3)C#N)C(=O)OC

InChI

InChI=1S/C21H16N2O4/c1-13-16-5-3-4-6-17(16)23-18(19(13)21(25)26-2)12-27-20(24)15-9-7-14(11-22)8-10-15/h3-10H,12H2,1-2H3