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

Systemtic Name: methyl 1-phenethyl-4-[[3-(trifluoromethyl)phenyl]amino]piperidine-4-carboxylate hydrochloride Openeye Name: methyl 1-phenethyl-4-[3-(trifluoromethyl)anilino]piperidine-4-carboxylate hydrochloride CAS Name: 1-phenethyl-4-[3-(trifluoromethyl)anilino]-4-piperidinecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 1-phenethyl-4-[3-(trifluoromethyl)anilino]piperidine-4-carboxylate hydrochloride Traditional Name: 1-phenethyl-4-[3-(trifluoromethyl)anilino]isonipecotic acid methyl ester hydrochloride Formula: C22H26ClF3N2O2 MolecularWeight: 442.90225

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)CCC2=CC=CC=C2)NC3=CC=CC(=C3)C(F)(F)F.Cl

Isomeric SMILES

COC(=O)C1(CCN(CC1)CCC2=CC=CC=C2)NC3=CC=CC(=C3)C(F)(F)F.Cl

InChI

InChI=1S/C22H25F3N2O2.ClH/c1-29-20(28)21(26-19-9-5-8-18(16-19)22(23,24)25)11-14-27(15-12-21)13-10-17-6-3-2-4-7-17;/h2-9,16,26H,10-15H2,1H3;1H