1-(4-methylpentoxy)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(4-methylpentoxy)isoquinoline-3-carboxylic acid Openeye Name: 1-isohexyloxyisoquinoline-3-carboxylic acid CAS Name: 1-(4-methylpentoxy)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(4-methylpentoxy)isoquinoline-3-carboxylic acid Traditional Name: 1-isohexyloxyisoquinoline-3-carboxylic acid Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CC(C)CCCOC1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

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