2-(3-methylisoquinolin-5-yl)ethanoate

Systemtic Name: 2-(3-methylisoquinolin-5-yl)ethanoate Openeye Name: 2-(3-methyl-5-isoquinolyl)acetate CAS Name: 2-(3-methyl-5-isoquinolinyl)acetate IUPAC Name: 2-(3-methylisoquinolin-5-yl)acetate Traditional Name: 2-(3-methyl-5-isoquinolyl)acetate Formula: C12H10NO2- MolecularWeight: 200.2133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2C=CC=C(C2=C1)CC(=O)[O-]

Isomeric SMILES

CC1=NC=C2C=CC=C(C2=C1)CC(=O)[O-]

InChI

InChI=1S/C12H11NO2/c1-8-5-11-9(6-12(14)15)3-2-4-10(11)7-13-8/h2-5,7H,6H2,1H3,(H,14,15)/p-1