nonyl 2-(4-nonoxycarbonylquinolin-2-yl)quinoline-4-carboxylate

Systemtic Name: nonyl 2-(4-nonoxycarbonylquinolin-2-yl)quinoline-4-carboxylate Openeye Name: nonyl 2-(4-nonoxycarbonyl-2-quinolyl)quinoline-4-carboxylate CAS Name: 2-[4-[nonoxy(oxo)methyl]-2-quinolinyl]-4-quinolinecarboxylic acid nonyl ester IUPAC Name: nonyl 2-(4-nonoxycarbonylquinolin-2-yl)quinoline-4-carboxylate Traditional Name: 2-(4-nonoxycarbonyl-2-quinolyl)cinchoninic acid nonyl ester Formula: C38H48N2O4 MolecularWeight: 596.79872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)C1=CC(=NC2=CC=CC=C21)C3=NC4=CC=CC=C4C(=C3)C(=O)OCCCCCCCCC

Isomeric SMILES

CCCCCCCCCOC(=O)C1=CC(=NC2=CC=CC=C21)C3=NC4=CC=CC=C4C(=C3)C(=O)OCCCCCCCCC

InChI

InChI=1S/C38H48N2O4/c1-3-5-7-9-11-13-19-25-43-37(41)31-27-35(39-33-23-17-15-21-29(31)33)36-28-32(30-22-16-18-24-34(30)40-36)38(42)44-26-20-14-12-10-8-6-4-2/h15-18,21-24,27-28H,3-14,19-20,25-26H2,1-2H3