3-chloranyl-1-(2-methylphenyl)isoquinoline-4-carboxylic acid

Systemtic Name: 3-chloranyl-1-(2-methylphenyl)isoquinoline-4-carboxylic acid Openeye Name: 3-chloro-1-(o-tolyl)isoquinoline-4-carboxylic acid CAS Name: 3-chloro-1-(2-methylphenyl)-4-isoquinolinecarboxylic acid IUPAC Name: 3-chloro-1-(2-methylphenyl)isoquinoline-4-carboxylic acid Traditional Name: 3-chloro-1-(o-tolyl)isoquinoline-4-carboxylic acid Formula: C17H12ClNO2 MolecularWeight: 297.73568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=C(C3=CC=CC=C32)C(=O)O)Cl

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=C(C3=CC=CC=C32)C(=O)O)Cl

InChI

InChI=1S/C17H12ClNO2/c1-10-6-2-3-7-11(10)15-13-9-5-4-8-12(13)14(17(20)21)16(18)19-15/h2-9H,1H3,(H,20,21)