2-(4-methylpentoxy)quinoline-4-carboxylic acid

Systemtic Name: 2-(4-methylpentoxy)quinoline-4-carboxylic acid Openeye Name: 2-isohexyloxyquinoline-4-carboxylic acid CAS Name: 2-(4-methylpentoxy)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-methylpentoxy)quinoline-4-carboxylic acid Traditional Name: 2-isohexyloxycinchoninic acid Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC1=NC2=CC=CC=C2C(=C1)C(=O)O

Isomeric SMILES

CC(C)CCCOC1=NC2=CC=CC=C2C(=C1)C(=O)O

InChI

InChI=1S/C16H19NO3/c1-11(2)6-5-9-20-15-10-13(16(18)19)12-7-3-4-8-14(12)17-15/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,18,19)