2-(1-butan-2-ylisoquinolin-5-yl)ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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