[2-oxidanylidene-2-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]amino]ethyl] 4-azanylbenzoate

Systemtic Name: [2-oxidanylidene-2-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]amino]ethyl] 4-azanylbenzoate Openeye Name: [2-oxo-2-[2-(1-piperidyl)-5-(trifluoromethyl)anilino]ethyl] 4-aminobenzoate CAS Name: 4-aminobenzoic acid [2-oxo-2-[2-(1-piperidinyl)-5-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-piperidin-1-yl-5-(trifluoromethyl)anilino]ethyl] 4-aminobenzoate Traditional Name: 4-aminobenzoic acid [2-keto-2-[2-piperidino-5-(trifluoromethyl)anilino]ethyl] ester Formula: C21H22F3N3O3 MolecularWeight: 421.41289

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)COC(=O)C3=CC=C(C=C3)N

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)COC(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C21H22F3N3O3/c22-21(23,24)15-6-9-18(27-10-2-1-3-11-27)17(12-15)26-19(28)13-30-20(29)14-4-7-16(25)8-5-14/h4-9,12H,1-3,10-11,13,25H2,(H,26,28)