2-[2-(3-chlorophenyl)-1-oxidanylidene-3,4-dihydroisoquinolin-3-yl]ethanoic acid

Systemtic Name: 2-[2-(3-chlorophenyl)-1-oxidanylidene-3,4-dihydroisoquinolin-3-yl]ethanoic acid Openeye Name: 2-[2-(3-chlorophenyl)-1-oxo-3,4-dihydroisoquinolin-3-yl]acetic acid CAS Name: 2-[2-(3-chlorophenyl)-1-oxo-3,4-dihydroisoquinolin-3-yl]acetic acid IUPAC Name: 2-[2-(3-chlorophenyl)-1-oxo-3,4-dihydroisoquinolin-3-yl]acetic acid Traditional Name: 2-[2-(3-chlorophenyl)-1-keto-3,4-dihydroisoquinolin-3-yl]acetic acid Formula: C17H14ClNO3 MolecularWeight: 315.75096

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(=O)C2=CC=CC=C21)C3=CC(=CC=C3)Cl)CC(=O)O

Isomeric SMILES

C1C(N(C(=O)C2=CC=CC=C21)C3=CC(=CC=C3)Cl)CC(=O)O

InChI

InChI=1S/C17H14ClNO3/c18-12-5-3-6-13(9-12)19-14(10-16(20)21)8-11-4-1-2-7-15(11)17(19)22/h1-7,9,14H,8,10H2,(H,20,21)