2-(1-hexylisoquinolin-5-yl)ethanoic acid

Systemtic Name: 2-(1-hexylisoquinolin-5-yl)ethanoic acid Openeye Name: 2-(1-hexyl-5-isoquinolyl)acetic acid CAS Name: 2-(1-hexyl-5-isoquinolinyl)acetic acid IUPAC Name: 2-(1-hexylisoquinolin-5-yl)acetic acid Traditional Name: 2-(1-hexyl-5-isoquinolyl)acetic acid Formula: C17H21NO2 MolecularWeight: 271.35414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC=CC2=C1C=CC=C2CC(=O)O

Isomeric SMILES

CCCCCCC1=NC=CC2=C1C=CC=C2CC(=O)O

InChI

InChI=1S/C17H21NO2/c1-2-3-4-5-9-16-15-8-6-7-13(12-17(19)20)14(15)10-11-18-16/h6-8,10-11H,2-5,9,12H2,1H3,(H,19,20)