3-cyanopropyl 2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: 3-cyanopropyl 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: 3-cyanopropyl 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid 3-cyanopropyl ester Formula: C21H18N2O2 MolecularWeight: 330.37982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCCCC#N

InChI

InChI=1S/C21H18N2O2/c1-15-8-10-16(11-9-15)20-14-18(21(24)25-13-5-4-12-22)17-6-2-3-7-19(17)23-20/h2-3,6-11,14H,4-5,13H2,1H3