3-chloranyl-1-phenyl-isoquinoline-4-carboxylic acid

Systemtic Name: 3-chloranyl-1-phenyl-isoquinoline-4-carboxylic acid Openeye Name: 3-chloro-1-phenyl-isoquinoline-4-carboxylic acid CAS Name: 3-chloro-1-phenyl-4-isoquinolinecarboxylic acid IUPAC Name: 3-chloro-1-phenylisoquinoline-4-carboxylic acid Traditional Name: 3-chloro-1-phenyl-isoquinoline-4-carboxylic acid Formula: C16H10ClNO2 MolecularWeight: 283.7091

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C3=CC=CC=C32)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C3=CC=CC=C32)C(=O)O)Cl

InChI

InChI=1S/C16H10ClNO2/c17-15-13(16(19)20)11-8-4-5-9-12(11)14(18-15)10-6-2-1-3-7-10/h1-9H,(H,19,20)