2-[1-(4-chlorophenyl)-3-methyl-isoquinolin-5-yl]ethanoic acid

Systemtic Name: 2-[1-(4-chlorophenyl)-3-methyl-isoquinolin-5-yl]ethanoic acid Openeye Name: 2-[1-(4-chlorophenyl)-3-methyl-5-isoquinolyl]acetic acid CAS Name: 2-[1-(4-chlorophenyl)-3-methyl-5-isoquinolinyl]acetic acid IUPAC Name: 2-[1-(4-chlorophenyl)-3-methylisoquinolin-5-yl]acetic acid Traditional Name: 2-[1-(4-chlorophenyl)-3-methyl-5-isoquinolyl]acetic acid Formula: C18H14ClNO2 MolecularWeight: 311.76226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C=CC=C(C2=C1)CC(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NC(=C2C=CC=C(C2=C1)CC(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H14ClNO2/c1-11-9-16-13(10-17(21)22)3-2-4-15(16)18(20-11)12-5-7-14(19)8-6-12/h2-9H,10H2,1H3,(H,21,22)