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

Systemtic Name: 2-(1-butylisoquinolin-5-yl)ethanoic acid Openeye Name: 2-(1-butyl-5-isoquinolyl)acetic acid CAS Name: 2-(1-butyl-5-isoquinolinyl)acetic acid IUPAC Name: 2-(1-butylisoquinolin-5-yl)acetic acid Traditional Name: 2-(1-butyl-5-isoquinolyl)acetic acid Formula: C15H17NO2 MolecularWeight: 243.30098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=CC2=C1C=CC=C2CC(=O)O

Isomeric SMILES

CCCCC1=NC=CC2=C1C=CC=C2CC(=O)O

InChI

InChI=1S/C15H17NO2/c1-2-3-7-14-13-6-4-5-11(10-15(17)18)12(13)8-9-16-14/h4-6,8-9H,2-3,7,10H2,1H3,(H,17,18)