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

Systemtic Name: hexyl 2-(4-octoxycarbonylquinolin-2-yl)quinoline-4-carboxylate Openeye Name: hexyl 2-(4-octoxycarbonyl-2-quinolyl)quinoline-4-carboxylate CAS Name: 2-[4-[octoxy(oxo)methyl]-2-quinolinyl]-4-quinolinecarboxylic acid hexyl ester IUPAC Name: hexyl 2-(4-octoxycarbonylquinolin-2-yl)quinoline-4-carboxylate Traditional Name: 2-(4-octoxycarbonyl-2-quinolyl)cinchoninic acid hexyl ester Formula: C34H40N2O4 MolecularWeight: 540.6924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H40N2O4/c1-3-5-7-9-10-16-22-40-34(38)28-24-32(36-30-20-14-12-18-26(28)30)31-23-27(25-17-11-13-19-29(25)35-31)33(37)39-21-15-8-6-4-2/h11-14,17-20,23-24H,3-10,15-16,21-22H2,1-2H3