3-(7-chloranyl-2-methyl-1-oxidanylidene-3-phenyl-isoquinolin-4-yl)propanoic acid

Systemtic Name: 3-(7-chloranyl-2-methyl-1-oxidanylidene-3-phenyl-isoquinolin-4-yl)propanoic acid Openeye Name: 3-(7-chloro-2-methyl-1-oxo-3-phenyl-4-isoquinolyl)propanoic acid CAS Name: 3-(7-chloro-2-methyl-1-oxo-3-phenyl-4-isoquinolinyl)propanoic acid IUPAC Name: 3-(7-chloro-2-methyl-1-oxo-3-phenylisoquinolin-4-yl)propanoic acid Traditional Name: 3-(7-chloro-1-keto-2-methyl-3-phenyl-4-isoquinolyl)propionic acid Formula: C19H16ClNO3 MolecularWeight: 341.78824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClNO3/c1-21-18(12-5-3-2-4-6-12)15(9-10-17(22)23)14-8-7-13(20)11-16(14)19(21)24/h2-8,11H,9-10H2,1H3,(H,22,23)