1-hexoxyisoquinoline-3-carboxylic acid

Systemtic Name: 1-hexoxyisoquinoline-3-carboxylic acid Openeye Name: 1-hexoxyisoquinoline-3-carboxylic acid CAS Name: 1-hexoxy-3-isoquinolinecarboxylic acid IUPAC Name: 1-hexoxyisoquinoline-3-carboxylic acid Traditional Name: 1-hexoxyisoquinoline-3-carboxylic acid Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCCCCOC1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C16H19NO3/c1-2-3-4-7-10-20-15-13-9-6-5-8-12(13)11-14(17-15)16(18)19/h5-6,8-9,11H,2-4,7,10H2,1H3,(H,18,19)