2-(1-pentan-3-ylisoquinolin-5-yl)ethanoic acid

Systemtic Name: 2-(1-pentan-3-ylisoquinolin-5-yl)ethanoic acid Openeye Name: 2-[1-(1-ethylpropyl)-5-isoquinolyl]acetic acid CAS Name: 2-(1-pentan-3-yl-5-isoquinolinyl)acetic acid IUPAC Name: 2-(1-pentan-3-ylisoquinolin-5-yl)acetic acid Traditional Name: 2-[1-(1-ethylpropyl)-5-isoquinolyl]acetic acid Formula: C16H19NO2 MolecularWeight: 257.32756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO2/c1-3-11(4-2)16-14-7-5-6-12(10-15(18)19)13(14)8-9-17-16/h5-9,11H,3-4,10H2,1-2H3,(H,18,19)