2-(3-methoxy-1-methyl-isoquinolin-7-yl)ethanoic acid

Systemtic Name: 2-(3-methoxy-1-methyl-isoquinolin-7-yl)ethanoic acid Openeye Name: 2-(3-methoxy-1-methyl-7-isoquinolyl)acetic acid CAS Name: 2-(3-methoxy-1-methyl-7-isoquinolinyl)acetic acid IUPAC Name: 2-(3-methoxy-1-methylisoquinolin-7-yl)acetic acid Traditional Name: 2-(3-methoxy-1-methyl-7-isoquinolyl)acetic acid Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C=CC2=CC(=N1)OC)CC(=O)O

Isomeric SMILES

CC1=C2C=C(C=CC2=CC(=N1)OC)CC(=O)O

InChI

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