[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl] 4-pentoxybenzoate

Systemtic Name: [2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl] 4-pentoxybenzoate Openeye Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [2-keto-2-[2-(trifluoromethyl)anilino]ethyl] ester Formula: C21H22F3NO4 MolecularWeight: 409.39889

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C21H22F3NO4/c1-2-3-6-13-28-16-11-9-15(10-12-16)20(27)29-14-19(26)25-18-8-5-4-7-17(18)21(22,23)24/h4-5,7-12H,2-3,6,13-14H2,1H3,(H,25,26)