heptyl 2-(4-heptoxycarbonylquinolin-2-yl)quinoline-4-carboxylate

Systemtic Name: heptyl 2-(4-heptoxycarbonylquinolin-2-yl)quinoline-4-carboxylate Openeye Name: heptyl 2-(4-heptoxycarbonyl-2-quinolyl)quinoline-4-carboxylate CAS Name: 2-[4-[heptoxy(oxo)methyl]-2-quinolinyl]-4-quinolinecarboxylic acid heptyl ester IUPAC Name: heptyl 2-(4-heptoxycarbonylquinolin-2-yl)quinoline-4-carboxylate Traditional Name: 2-(4-heptoxycarbonyl-2-quinolyl)cinchoninic acid heptyl ester Formula: C34H40N2O4 MolecularWeight: 540.6924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC(=NC2=CC=CC=C21)C3=NC4=CC=CC=C4C(=C3)C(=O)OCCCCCCC

Isomeric SMILES

CCCCCCCOC(=O)C1=CC(=NC2=CC=CC=C21)C3=NC4=CC=CC=C4C(=C3)C(=O)OCCCCCCC

InChI

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