3-[3-(trifluoromethyl)phenyl]-2H-isoindole-1-carboxylic acid

Systemtic Name: 3-[3-(trifluoromethyl)phenyl]-2H-isoindole-1-carboxylic acid Openeye Name: 3-[3-(trifluoromethyl)phenyl]-2H-isoindole-1-carboxylic acid CAS Name: 3-[3-(trifluoromethyl)phenyl]-2H-isoindole-1-carboxylic acid IUPAC Name: 3-[3-(trifluoromethyl)phenyl]-2H-isoindole-1-carboxylic acid Traditional Name: 3-[3-(trifluoromethyl)phenyl]-2H-isoindole-1-carboxylic acid Formula: C16H10F3NO2 MolecularWeight: 305.25131

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(NC(=C2C=C1)C(=O)O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC2=C(NC(=C2C=C1)C(=O)O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C16H10F3NO2/c17-16(18,19)10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)14(20-13)15(21)22/h1-8,20H,(H,21,22)