2-heptoxyquinoline-4-carboxylic acid

Systemtic Name: 2-heptoxyquinoline-4-carboxylic acid Openeye Name: 2-heptoxyquinoline-4-carboxylic acid CAS Name: 2-heptoxy-4-quinolinecarboxylic acid IUPAC Name: 2-heptoxyquinoline-4-carboxylic acid Traditional Name: 2-heptoxycinchoninic acid Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)O

Isomeric SMILES

CCCCCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)O

InChI

InChI=1S/C17H21NO3/c1-2-3-4-5-8-11-21-16-12-14(17(19)20)13-9-6-7-10-15(13)18-16/h6-7,9-10,12H,2-5,8,11H2,1H3,(H,19,20)