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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC=CC2=C1C=CC=C2CC(=O)O

Isomeric SMILES

CC(C)(C)C1=NC=CC2=C1C=CC=C2CC(=O)O

InChI

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