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

Systemtic Name: methyl 1-phenethyl-4-[propanoyl-[3-(trifluoromethyl)phenyl]amino]piperidine-4-carboxylate Openeye Name: methyl 1-phenethyl-4-[N-propanoyl-3-(trifluoromethyl)anilino]piperidine-4-carboxylate CAS Name: 4-[N-(1-oxopropyl)-3-(trifluoromethyl)anilino]-1-phenethyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-phenethyl-4-[N-propanoyl-3-(trifluoromethyl)anilino]piperidine-4-carboxylate Traditional Name: 1-phenethyl-4-[N-propionyl-3-(trifluoromethyl)anilino]isonipecotic acid methyl ester Formula: C25H29F3N2O3 MolecularWeight: 462.50457

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC(=C1)C(F)(F)F)C2(CCN(CC2)CCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC(=O)N(C1=CC=CC(=C1)C(F)(F)F)C2(CCN(CC2)CCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H29F3N2O3/c1-3-22(31)30(21-11-7-10-20(18-21)25(26,27)28)24(23(32)33-2)13-16-29(17-14-24)15-12-19-8-5-4-6-9-19/h4-11,18H,3,12-17H2,1-2H3