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

Systemtic Name: methyl 1-(phenylmethyl)-4-[[3-(trifluoromethyl)phenyl]amino]piperidine-4-carboxylate Openeye Name: methyl 1-benzyl-4-[3-(trifluoromethyl)anilino]piperidine-4-carboxylate CAS Name: 1-(phenylmethyl)-4-[3-(trifluoromethyl)anilino]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-4-[3-(trifluoromethyl)anilino]piperidine-4-carboxylate Traditional Name: 1-benzyl-4-[3-(trifluoromethyl)anilino]isonipecotic acid methyl ester Formula: C21H23F3N2O2 MolecularWeight: 392.41473

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)CC2=CC=CC=C2)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1(CCN(CC1)CC2=CC=CC=C2)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H23F3N2O2/c1-28-19(27)20(25-18-9-5-8-17(14-18)21(22,23)24)10-12-26(13-11-20)15-16-6-3-2-4-7-16/h2-9,14,25H,10-13,15H2,1H3