1-[2-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]amino]ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]amino]ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-keto-2-[4-(trifluoromethoxy)anilino]ethyl]cycloheptanecarboxylic acid Formula: C17H20F3NO4 MolecularWeight: 359.34021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20F3NO4/c18-17(19,20)25-13-7-5-12(6-8-13)21-14(22)11-16(15(23)24)9-3-1-2-4-10-16/h5-8H,1-4,9-11H2,(H,21,22)(H,23,24)