(3-phenoxyphenyl)methyl 2-pyridin-3-ylquinoline-4-carboxylate

Systemtic Name: (3-phenoxyphenyl)methyl 2-pyridin-3-ylquinoline-4-carboxylate Openeye Name: (3-phenoxyphenyl)methyl 2-(3-pyridyl)quinoline-4-carboxylate CAS Name: 2-(3-pyridinyl)-4-quinolinecarboxylic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 2-pyridin-3-ylquinoline-4-carboxylate Traditional Name: 2-(3-pyridyl)cinchoninic acid (3-phenoxybenzyl) ester Formula: C28H20N2O3 MolecularWeight: 432.47

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C28H20N2O3/c31-28(32-19-20-8-6-12-23(16-20)33-22-10-2-1-3-11-22)25-17-27(21-9-7-15-29-18-21)30-26-14-5-4-13-24(25)26/h1-18H,19H2