methyl 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]benzoate Traditional Name: 3-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]benzoic acid methyl ester Formula: C20H20F3N3O3 MolecularWeight: 407.38631

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H20F3N3O3/c1-29-18(27)14-4-2-6-16(12-14)24-19(28)26-10-8-25(9-11-26)17-7-3-5-15(13-17)20(21,22)23/h2-7,12-13H,8-11H2,1H3,(H,24,28)