[2-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 2-azanyl-3-methyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 2-azanyl-3-methyl-benzoate Openeye Name: [2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 2-amino-3-methyl-benzoate CAS Name: 2-amino-3-methylbenzoic acid [2-oxo-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 2-amino-3-methylbenzoate Traditional Name: 2-amino-3-methyl-benzoic acid [2-keto-2-[4-[3-(trifluoromethyl)phenyl]piperazino]ethyl] ester Formula: C21H22F3N3O3 MolecularWeight: 421.41289

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=CC(=C1N)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H22F3N3O3/c1-14-4-2-7-17(19(14)25)20(29)30-13-18(28)27-10-8-26(9-11-27)16-6-3-5-15(12-16)21(22,23)24/h2-7,12H,8-11,13,25H2,1H3