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

Systemtic Name: methyl 2-[[4-(2-cyanoethanoylamino)phenyl]carbonyloxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[4-[(2-cyanoacetyl)amino]benzoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[[4-[(2-cyano-1-oxoethyl)amino]phenyl]-oxomethoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(2-cyanoacetyl)amino]benzoyl]oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[4-[(2-cyanoacetyl)amino]benzoyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C23H19N3O5 MolecularWeight: 417.41406

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)NC(=O)CC#N)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O5/c1-14-17-5-3-4-6-18(17)26-19(21(14)23(29)30-2)13-31-22(28)15-7-9-16(10-8-15)25-20(27)11-12-24/h3-10H,11,13H2,1-2H3,(H,25,27)