3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(trifluoromethyl)-2-pyridyl]isonipecotic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C22H23F3N4O3 MolecularWeight: 448.43823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCCN2C3=CC=CC=C3NC2=O)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCCCN2C3=CC=CC=C3NC2=O)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H23F3N4O3/c23-22(24,25)16-6-7-19(26-14-16)28-11-8-15(9-12-28)20(30)32-13-3-10-29-18-5-2-1-4-17(18)27-21(29)31/h1-2,4-7,14-15H,3,8-13H2,(H,27,31)