1-[4-(trifluoromethyl)phenyl]-1,2,3,4,9,9a-hexahydrobenzo[f]isoindole-3a-carboxylic acid

Systemtic Name: 1-[4-(trifluoromethyl)phenyl]-1,2,3,4,9,9a-hexahydrobenzo[f]isoindole-3a-carboxylic acid Openeye Name: 1-[4-(trifluoromethyl)phenyl]-1,2,3,4,9,9a-hexahydrobenzo[f]isoindole-3a-carboxylic acid CAS Name: 1-[4-(trifluoromethyl)phenyl]-1,2,3,4,9,9a-hexahydrobenzo[f]isoindole-3a-carboxylic acid IUPAC Name: 1-[4-(trifluoromethyl)phenyl]-1,2,3,4,9,9a-hexahydrobenzo[f]isoindole-3a-carboxylic acid Traditional Name: 1-[4-(trifluoromethyl)phenyl]-1,2,3,4,9,9a-hexahydrobenz[f]isoindole-3a-carboxylic acid Formula: C20H18F3NO2 MolecularWeight: 361.35763

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(NCC2(CC3=CC=CC=C31)C(=O)O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1C2C(NCC2(CC3=CC=CC=C31)C(=O)O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C20H18F3NO2/c21-20(22,23)15-7-5-12(6-8-15)17-16-9-13-3-1-2-4-14(13)10-19(16,11-24-17)18(25)26/h1-8,16-17,24H,9-11H2,(H,25,26)