2-(2-chloranyl-4-fluoranyl-phenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(2-chloranyl-4-fluoranyl-phenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(2-chloro-4-fluoro-benzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[(2-chloro-4-fluorophenyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(2-chloro-4-fluorobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(2-chloro-4-fluoro-benzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C17H13ClFNO3 MolecularWeight: 333.741423

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=C(C=C(C=C3)F)Cl)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)C3=C(C=C(C=C3)F)Cl)C(=O)O

InChI

InChI=1S/C17H13ClFNO3/c18-14-8-12(19)5-6-13(14)16(21)20-9-11-4-2-1-3-10(11)7-15(20)17(22)23/h1-6,8,15H,7,9H2,(H,22,23)