2-(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)ethanoic acid

Systemtic Name: 2-(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)ethanoic acid Openeye Name: 2-(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)acetic acid CAS Name: 2-(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)acetic acid IUPAC Name: 2-(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)acetic acid Traditional Name: 2-(6-chloro-1-keto-2-methyl-4-phenyl-3-isoquinolyl)acetic acid Formula: C18H14ClNO3 MolecularWeight: 327.76166

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)CC(=O)O

InChI

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