2-[1-(4-methylphenyl)isoquinolin-5-yl]ethanoic acid

Systemtic Name: 2-[1-(4-methylphenyl)isoquinolin-5-yl]ethanoic acid Openeye Name: 2-[1-(p-tolyl)-5-isoquinolyl]acetic acid CAS Name: 2-[1-(4-methylphenyl)-5-isoquinolinyl]acetic acid IUPAC Name: 2-[1-(4-methylphenyl)isoquinolin-5-yl]acetic acid Traditional Name: 2-[1-(p-tolyl)-5-isoquinolyl]acetic acid Formula: C18H15NO2 MolecularWeight: 277.3172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC=CC3=C2C=CC=C3CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC=CC3=C2C=CC=C3CC(=O)O

InChI

InChI=1S/C18H15NO2/c1-12-5-7-13(8-6-12)18-16-4-2-3-14(11-17(20)21)15(16)9-10-19-18/h2-10H,11H2,1H3,(H,20,21)