1-heptoxyisoquinoline-3-carboxylic acid

Systemtic Name: 1-heptoxyisoquinoline-3-carboxylic acid Openeye Name: 1-heptoxyisoquinoline-3-carboxylic acid CAS Name: 1-heptoxy-3-isoquinolinecarboxylic acid IUPAC Name: 1-heptoxyisoquinoline-3-carboxylic acid Traditional Name: 1-heptoxyisoquinoline-3-carboxylic acid Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCCCCCOC1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

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