2-(6-methoxy-1-methyl-isoquinolin-4-yl)ethanoic acid

Systemtic Name: 2-(6-methoxy-1-methyl-isoquinolin-4-yl)ethanoic acid Openeye Name: 2-(6-methoxy-1-methyl-4-isoquinolyl)acetic acid CAS Name: 2-(6-methoxy-1-methyl-4-isoquinolinyl)acetic acid IUPAC Name: 2-(6-methoxy-1-methylisoquinolin-4-yl)acetic acid Traditional Name: 2-(6-methoxy-1-methyl-4-isoquinolyl)acetic acid Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C2=C1C=CC(=C2)OC)CC(=O)O

Isomeric SMILES

CC1=NC=C(C2=C1C=CC(=C2)OC)CC(=O)O

InChI

InChI=1S/C13H13NO3/c1-8-11-4-3-10(17-2)6-12(11)9(7-14-8)5-13(15)16/h3-4,6-7H,5H2,1-2H3,(H,15,16)