[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-azanyl-4-(trifluoromethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-azanyl-4-(trifluoromethyl)benzoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-amino-4-(trifluoromethyl)benzoate CAS Name: 2-amino-4-(trifluoromethyl)benzoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-amino-4-(trifluoromethyl)benzoate Traditional Name: 2-amino-4-(trifluoromethyl)benzoic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C20H20F3N3O3 MolecularWeight: 407.38631

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=C(C=C(C=C3)C(F)(F)F)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=C(C=C(C=C3)C(F)(F)F)N

InChI

InChI=1S/C20H20F3N3O3/c21-20(22,23)14-6-7-16(17(24)12-14)19(28)29-13-18(27)26-10-8-25(9-11-26)15-4-2-1-3-5-15/h1-7,12H,8-11,13,24H2