methyl (2S,6R)-6-butyl-1-[(2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]piperidine-2-carboxylate

Systemtic Name: methyl (2S,6R)-6-butyl-1-[(2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]piperidine-2-carboxylate Openeye Name: methyl (2S,6R)-6-butyl-1-[(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl]piperidine-2-carboxylate CAS Name: (2S,6R)-6-butyl-1-[(2S)-3,3,3-trifluoro-2-methoxy-1-oxo-2-phenylpropyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,6R)-6-butyl-1-[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]piperidine-2-carboxylate Traditional Name: (2S,6R)-6-butyl-1-[(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl]pipecolinic acid methyl ester Formula: C21H28F3NO4 MolecularWeight: 415.44653

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCCC(N1C(=O)C(C2=CC=CC=C2)(C(F)(F)F)OC)C(=O)OC

Isomeric SMILES

CCCC[C@@H]1CCC[C@H](N1C(=O)[C@@](C2=CC=CC=C2)(C(F)(F)F)OC)C(=O)OC

InChI

InChI=1S/C21H28F3NO4/c1-4-5-12-16-13-9-14-17(18(26)28-2)25(16)19(27)20(29-3,21(22,23)24)15-10-7-6-8-11-15/h6-8,10-11,16-17H,4-5,9,12-14H2,1-3H3/t16-,17+,20+/m1/s1