tert-butyl 3-[[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxidanylidene-ethyl]amino]-2-(trifluoromethyl)benzoate

Systemtic Name: tert-butyl 3-[[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxidanylidene-ethyl]amino]-2-(trifluoromethyl)benzoate Openeye Name: tert-butyl 3-[[2-[(1-cyclopentyl-4-piperidyl)methylamino]-2-oxo-ethyl]amino]-2-(trifluoromethyl)benzoate CAS Name: 3-[[2-[(1-cyclopentyl-4-piperidinyl)methylamino]-2-oxoethyl]amino]-2-(trifluoromethyl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]amino]-2-(trifluoromethyl)benzoate Traditional Name: 3-[[2-[(1-cyclopentyl-4-piperidyl)methylamino]-2-keto-ethyl]amino]-2-(trifluoromethyl)benzoic acid tert-butyl ester Formula: C25H36F3N3O3 MolecularWeight: 483.56685

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C(=CC=C1)NCC(=O)NCC2CCN(CC2)C3CCCC3)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C(=CC=C1)NCC(=O)NCC2CCN(CC2)C3CCCC3)C(F)(F)F

InChI

InChI=1S/C25H36F3N3O3/c1-24(2,3)34-23(33)19-9-6-10-20(22(19)25(26,27)28)29-16-21(32)30-15-17-11-13-31(14-12-17)18-7-4-5-8-18/h6,9-10,17-18,29H,4-5,7-8,11-16H2,1-3H3,(H,30,32)