[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 3,5-bis(trifluoromethyl)benzoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C18H13F6NO3 MolecularWeight: 405.291139

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H13F6NO3/c19-17(20,21)13-6-12(7-14(8-13)18(22,23)24)16(27)28-10-15(26)25-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,25,26)