nonyl 5-methyl-2-(6-methyl-4-nonoxycarbonyl-quinolin-2-yl)quinoline-4-carboxylate

Systemtic Name: nonyl 5-methyl-2-(6-methyl-4-nonoxycarbonyl-quinolin-2-yl)quinoline-4-carboxylate Openeye Name: nonyl 5-methyl-2-(6-methyl-4-nonoxycarbonyl-2-quinolyl)quinoline-4-carboxylate CAS Name: 5-methyl-2-[6-methyl-4-[nonoxy(oxo)methyl]-2-quinolinyl]-4-quinolinecarboxylic acid nonyl ester IUPAC Name: nonyl 5-methyl-2-(6-methyl-4-nonoxycarbonylquinolin-2-yl)quinoline-4-carboxylate Traditional Name: 5-methyl-2-(6-methyl-4-nonoxycarbonyl-2-quinolyl)cinchoninic acid nonyl ester Formula: C40H52N2O4 MolecularWeight: 624.85188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=NC4=CC=CC(=C4C(=C3)C(=O)OCCCCCCCCC)C

Isomeric SMILES

CCCCCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=NC4=CC=CC(=C4C(=C3)C(=O)OCCCCCCCCC)C

InChI

InChI=1S/C40H52N2O4/c1-5-7-9-11-13-15-17-24-45-39(43)32-27-36(41-34-23-22-29(3)26-31(32)34)37-28-33(38-30(4)20-19-21-35(38)42-37)40(44)46-25-18-16-14-12-10-8-6-2/h19-23,26-28H,5-18,24-25H2,1-4H3