1-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-keto-2-[3-(trifluoromethyl)anilino]ethyl]cycloheptanecarboxylic acid Formula: C17H20F3NO3 MolecularWeight: 343.34081

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CC(=O)NC2=CC=CC(=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CCCC(CC1)(CC(=O)NC2=CC=CC(=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C17H20F3NO3/c18-17(19,20)12-6-5-7-13(10-12)21-14(22)11-16(15(23)24)8-3-1-2-4-9-16/h5-7,10H,1-4,8-9,11H2,(H,21,22)(H,23,24)