[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 1-[4-(trifluoromethyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 1-[4-(trifluoromethyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(trifluoromethyl)benzoyl]isonipecotic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C19H19F3N2O4 MolecularWeight: 396.36037

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

C#CCNC(=O)COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C19H19F3N2O4/c1-2-9-23-16(25)12-28-18(27)14-7-10-24(11-8-14)17(26)13-3-5-15(6-4-13)19(20,21)22/h1,3-6,14H,7-12H2,(H,23,25)