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

Systemtic Name: heptyl 2-(4-octoxycarbonylquinolin-2-yl)quinoline-4-carboxylate Openeye Name: heptyl 2-(4-octoxycarbonyl-2-quinolyl)quinoline-4-carboxylate CAS Name: 2-[4-[octoxy(oxo)methyl]-2-quinolinyl]-4-quinolinecarboxylic acid heptyl ester IUPAC Name: heptyl 2-(4-octoxycarbonylquinolin-2-yl)quinoline-4-carboxylate Traditional Name: 2-(4-octoxycarbonyl-2-quinolyl)cinchoninic acid heptyl ester Formula: C35H42N2O4 MolecularWeight: 554.71898

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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)OCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C35H42N2O4/c1-3-5-7-9-11-17-23-41-35(39)29-25-33(37-31-21-15-13-19-27(29)31)32-24-28(26-18-12-14-20-30(26)36-32)34(38)40-22-16-10-8-6-4-2/h12-15,18-21,24-25H,3-11,16-17,22-23H2,1-2H3