1-(1-fluoranylcyclohexa-2,4-dien-1-yl)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(1-fluoranylcyclohexa-2,4-dien-1-yl)isoquinoline-3-carboxylic acid Openeye Name: 1-(1-fluorocyclohexa-2,4-dien-1-yl)isoquinoline-3-carboxylic acid CAS Name: 1-(1-fluoro-1-cyclohexa-2,4-dienyl)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(1-fluorocyclohexa-2,4-dien-1-yl)isoquinoline-3-carboxylic acid Traditional Name: 1-(1-fluorocyclohexa-2,4-dien-1-yl)isoquinoline-3-carboxylic acid Formula: C16H12FNO2 MolecularWeight: 269.270383

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CC1(C2=NC(=CC3=CC=CC=C32)C(=O)O)F

Isomeric SMILES

C1C=CC=CC1(C2=NC(=CC3=CC=CC=C32)C(=O)O)F

InChI

InChI=1S/C16H12FNO2/c17-16(8-4-1-5-9-16)14-12-7-3-2-6-11(12)10-13(18-14)15(19)20/h1-8,10H,9H2,(H,19,20)