2-(1-chloranyl-3-methyl-isoquinolin-4-yl)ethanoic acid

Systemtic Name: 2-(1-chloranyl-3-methyl-isoquinolin-4-yl)ethanoic acid Openeye Name: 2-(1-chloro-3-methyl-4-isoquinolyl)acetic acid CAS Name: 2-(1-chloro-3-methyl-4-isoquinolinyl)acetic acid IUPAC Name: 2-(1-chloro-3-methylisoquinolin-4-yl)acetic acid Traditional Name: 2-(1-chloro-3-methyl-4-isoquinolyl)acetic acid Formula: C12H10ClNO2 MolecularWeight: 235.6663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C(=N1)Cl)CC(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2C(=N1)Cl)CC(=O)O

InChI

InChI=1S/C12H10ClNO2/c1-7-10(6-11(15)16)8-4-2-3-5-9(8)12(13)14-7/h2-5H,6H2,1H3,(H,15,16)