pentyl 2-(4-pentoxycarbonylquinolin-2-yl)quinoline-4-carboxylate

Systemtic Name: pentyl 2-(4-pentoxycarbonylquinolin-2-yl)quinoline-4-carboxylate Openeye Name: pentyl 2-(4-pentoxycarbonyl-2-quinolyl)quinoline-4-carboxylate CAS Name: 2-[4-[oxo(pentoxy)methyl]-2-quinolinyl]-4-quinolinecarboxylic acid pentyl ester IUPAC Name: pentyl 2-(4-pentoxycarbonylquinolin-2-yl)quinoline-4-carboxylate Traditional Name: 2-(4-amoxycarbonyl-2-quinolyl)cinchoninic acid amyl ester Formula: C30H32N2O4 MolecularWeight: 484.58608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC(=NC2=CC=CC=C21)C3=NC4=CC=CC=C4C(=C3)C(=O)OCCCCC

Isomeric SMILES

CCCCCOC(=O)C1=CC(=NC2=CC=CC=C21)C3=NC4=CC=CC=C4C(=C3)C(=O)OCCCCC

InChI

InChI=1S/C30H32N2O4/c1-3-5-11-17-35-29(33)23-19-27(31-25-15-9-7-13-21(23)25)28-20-24(30(34)36-18-12-6-4-2)22-14-8-10-16-26(22)32-28/h7-10,13-16,19-20H,3-6,11-12,17-18H2,1-2H3