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

Systemtic Name: 2-[1-(4-chloranylphenoxy)-3-methyl-isoquinolin-4-yl]ethanoic acid Openeye Name: 2-[1-(4-chlorophenoxy)-3-methyl-4-isoquinolyl]acetic acid CAS Name: 2-[1-(4-chlorophenoxy)-3-methyl-4-isoquinolinyl]acetic acid IUPAC Name: 2-[1-(4-chlorophenoxy)-3-methylisoquinolin-4-yl]acetic acid Traditional Name: 2-[1-(4-chlorophenoxy)-3-methyl-4-isoquinolyl]acetic acid Formula: C18H14ClNO3 MolecularWeight: 327.76166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C(=N1)OC3=CC=C(C=C3)Cl)CC(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2C(=N1)OC3=CC=C(C=C3)Cl)CC(=O)O

InChI

InChI=1S/C18H14ClNO3/c1-11-16(10-17(21)22)14-4-2-3-5-15(14)18(20-11)23-13-8-6-12(19)7-9-13/h2-9H,10H2,1H3,(H,21,22)