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

Systemtic Name: octyl 2-(4-octoxycarbonylquinolin-2-yl)quinoline-4-carboxylate Openeye Name: octyl 2-(4-octoxycarbonyl-2-quinolyl)quinoline-4-carboxylate CAS Name: 2-[4-[octoxy(oxo)methyl]-2-quinolinyl]-4-quinolinecarboxylic acid octyl ester IUPAC Name: octyl 2-(4-octoxycarbonylquinolin-2-yl)quinoline-4-carboxylate Traditional Name: 2-(4-octoxycarbonyl-2-quinolyl)cinchoninic acid octyl ester Formula: C36H44N2O4 MolecularWeight: 568.74556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H44N2O4/c1-3-5-7-9-11-17-23-41-35(39)29-25-33(37-31-21-15-13-19-27(29)31)34-26-30(28-20-14-16-22-32(28)38-34)36(40)42-24-18-12-10-8-6-4-2/h13-16,19-22,25-26H,3-12,17-18,23-24H2,1-2H3