phenanthridin-6-ylmethyl 1-[4-(trifluoromethyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: phenanthridin-6-ylmethyl 1-[4-(trifluoromethyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: phenanthridin-6-ylmethyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(trifluoromethyl)benzoyl]isonipecotic acid phenanthridin-6-ylmethyl ester Formula: C28H23F3N2O3 MolecularWeight: 492.48903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)C(=O)C5=CC=C(C=C5)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)C(=O)C5=CC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C28H23F3N2O3/c29-28(30,31)20-11-9-18(10-12-20)26(34)33-15-13-19(14-16-33)27(35)36-17-25-23-7-2-1-5-21(23)22-6-3-4-8-24(22)32-25/h1-12,19H,13-17H2