[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[3-(trifluoromethyl)phenyl]ethanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[3-(trifluoromethyl)phenyl]ethanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-[3-(trifluoromethyl)phenyl]acetate CAS Name: 2-[3-(trifluoromethyl)phenyl]acetic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate Traditional Name: 2-[3-(trifluoromethyl)phenyl]acetic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C17H20F3NO3 MolecularWeight: 343.34081

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)CC2=CC(=CC=C2)C(F)(F)F

InChI

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