(2-cyanophenyl)methyl 2-naphthalen-1-ylquinoline-4-carboxylate

Systemtic Name: (2-cyanophenyl)methyl 2-naphthalen-1-ylquinoline-4-carboxylate Openeye Name: (2-cyanophenyl)methyl 2-(1-naphthyl)quinoline-4-carboxylate CAS Name: 2-(1-naphthalenyl)-4-quinolinecarboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 2-naphthalen-1-ylquinoline-4-carboxylate Traditional Name: 2-(1-naphthyl)cinchoninic acid (2-cyanobenzyl) ester Formula: C28H18N2O2 MolecularWeight: 414.45472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=NC4=CC=CC=C4C(=C3)C(=O)OCC5=CC=CC=C5C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=NC4=CC=CC=C4C(=C3)C(=O)OCC5=CC=CC=C5C#N

InChI

InChI=1S/C28H18N2O2/c29-17-20-9-1-2-10-21(20)18-32-28(31)25-16-27(30-26-15-6-5-13-24(25)26)23-14-7-11-19-8-3-4-12-22(19)23/h1-16H,18H2