hexyl 2-(4-hexoxycarbonylquinolin-2-yl)quinoline-4-carboxylate

Systemtic Name: hexyl 2-(4-hexoxycarbonylquinolin-2-yl)quinoline-4-carboxylate Openeye Name: hexyl 2-(4-hexoxycarbonyl-2-quinolyl)quinoline-4-carboxylate CAS Name: 2-[4-[hexoxy(oxo)methyl]-2-quinolinyl]-4-quinolinecarboxylic acid hexyl ester IUPAC Name: hexyl 2-(4-hexoxycarbonylquinolin-2-yl)quinoline-4-carboxylate Traditional Name: 2-(4-hexoxycarbonyl-2-quinolyl)cinchoninic acid hexyl ester Formula: C32H36N2O4 MolecularWeight: 512.63924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC(=NC2=CC=CC=C21)C3=NC4=CC=CC=C4C(=C3)C(=O)OCCCCCC

Isomeric SMILES

CCCCCCOC(=O)C1=CC(=NC2=CC=CC=C21)C3=NC4=CC=CC=C4C(=C3)C(=O)OCCCCCC

InChI

InChI=1S/C32H36N2O4/c1-3-5-7-13-19-37-31(35)25-21-29(33-27-17-11-9-15-23(25)27)30-22-26(24-16-10-12-18-28(24)34-30)32(36)38-20-14-8-6-4-2/h9-12,15-18,21-22H,3-8,13-14,19-20H2,1-2H3