2-[3-ethyl-1-(4-methylphenyl)isoquinolin-5-yl]ethanoic acid

Systemtic Name: 2-[3-ethyl-1-(4-methylphenyl)isoquinolin-5-yl]ethanoic acid Openeye Name: 2-[3-ethyl-1-(p-tolyl)-5-isoquinolyl]acetic acid CAS Name: 2-[3-ethyl-1-(4-methylphenyl)-5-isoquinolinyl]acetic acid IUPAC Name: 2-[3-ethyl-1-(4-methylphenyl)isoquinolin-5-yl]acetic acid Traditional Name: 2-[3-ethyl-1-(p-tolyl)-5-isoquinolyl]acetic acid Formula: C20H19NO2 MolecularWeight: 305.37036

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C2C=CC=C(C2=C1)CC(=O)O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=NC(=C2C=CC=C(C2=C1)CC(=O)O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H19NO2/c1-3-16-12-18-15(11-19(22)23)5-4-6-17(18)20(21-16)14-9-7-13(2)8-10-14/h4-10,12H,3,11H2,1-2H3,(H,22,23)