(phenylmethyl) 2-pyridin-3-ylquinoline-4-carboxylate

Systemtic Name: (phenylmethyl) 2-pyridin-3-ylquinoline-4-carboxylate Openeye Name: benzyl 2-(3-pyridyl)quinoline-4-carboxylate CAS Name: 2-(3-pyridinyl)-4-quinolinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-pyridin-3-ylquinoline-4-carboxylate Traditional Name: 2-(3-pyridyl)cinchoninic acid benzyl ester Formula: C22H16N2O2 MolecularWeight: 340.37464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4

InChI

InChI=1S/C22H16N2O2/c25-22(26-15-16-7-2-1-3-8-16)19-13-21(17-9-6-12-23-14-17)24-20-11-5-4-10-18(19)20/h1-14H,15H2