2-[1-(3-methylbutyl)isoquinolin-5-yl]ethanoic acid

Systemtic Name: 2-[1-(3-methylbutyl)isoquinolin-5-yl]ethanoic acid Openeye Name: 2-(1-isopentyl-5-isoquinolyl)acetic acid CAS Name: 2-[1-(3-methylbutyl)-5-isoquinolinyl]acetic acid IUPAC Name: 2-[1-(3-methylbutyl)isoquinolin-5-yl]acetic acid Traditional Name: 2-(1-isoamyl-5-isoquinolyl)acetic acid Formula: C16H19NO2 MolecularWeight: 257.32756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=NC=CC2=C1C=CC=C2CC(=O)O

Isomeric SMILES

CC(C)CCC1=NC=CC2=C1C=CC=C2CC(=O)O

InChI

InChI=1S/C16H19NO2/c1-11(2)6-7-15-14-5-3-4-12(10-16(18)19)13(14)8-9-17-15/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,18,19)