tert-butyl 4-[[3-methyl-4-(trifluoromethyl)phenyl]methyl-phenyl-amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-methyl-4-(trifluoromethyl)phenyl]methyl-phenyl-amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[N-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]anilino]piperidine-1-carboxylate CAS Name: 4-[N-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]anilino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[N-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]anilino]piperidine-1-carboxylate Traditional Name: 4-(N-[3-methyl-4-(trifluoromethyl)benzyl]anilino)piperidine-1-carboxylic acid tert-butyl ester Formula: C25H31F3N2O2 MolecularWeight: 448.52105

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN(C2CCN(CC2)C(=O)OC(C)(C)C)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)CN(C2CCN(CC2)C(=O)OC(C)(C)C)C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C25H31F3N2O2/c1-18-16-19(10-11-22(18)25(26,27)28)17-30(20-8-6-5-7-9-20)21-12-14-29(15-13-21)23(31)32-24(2,3)4/h5-11,16,21H,12-15,17H2,1-4H3