2-cyano-4-fluoranyl-5-(4,5,6,7-tetrahydroisoindol-2-yl)benzoic acid

Systemtic Name: 2-cyano-4-fluoranyl-5-(4,5,6,7-tetrahydroisoindol-2-yl)benzoic acid Openeye Name: 2-cyano-4-fluoro-5-(4,5,6,7-tetrahydroisoindol-2-yl)benzoic acid CAS Name: 2-cyano-4-fluoro-5-(4,5,6,7-tetrahydroisoindol-2-yl)benzoic acid IUPAC Name: 2-cyano-4-fluoro-5-(4,5,6,7-tetrahydroisoindol-2-yl)benzoic acid Traditional Name: 2-cyano-4-fluoro-5-(4,5,6,7-tetrahydroisoindol-2-yl)benzoic acid Formula: C16H13FN2O2 MolecularWeight: 284.285023

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=CN(C=C2C1)C3=C(C=C(C(=C3)C(=O)O)C#N)F

Isomeric SMILES

C1CCC2=CN(C=C2C1)C3=C(C=C(C(=C3)C(=O)O)C#N)F

InChI

InChI=1S/C16H13FN2O2/c17-14-5-12(7-18)13(16(20)21)6-15(14)19-8-10-3-1-2-4-11(10)9-19/h5-6,8-9H,1-4H2,(H,20,21)