3-phenylpropyl (3S,4R)-2-methylidene-6-oxidanylidene-4-[2-(trifluoromethyl)phenyl]piperidine-3-carboxylate

Systemtic Name: 3-phenylpropyl (3S,4R)-2-methylidene-6-oxidanylidene-4-[2-(trifluoromethyl)phenyl]piperidine-3-carboxylate Openeye Name: 3-phenylpropyl (3S,4R)-2-methylene-6-oxo-4-[2-(trifluoromethyl)phenyl]piperidine-3-carboxylate CAS Name: (3S,4R)-2-methylene-6-oxo-4-[2-(trifluoromethyl)phenyl]-3-piperidinecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl (3S,4R)-2-methylidene-6-oxo-4-[2-(trifluoromethyl)phenyl]piperidine-3-carboxylate Traditional Name: (3S,4R)-6-keto-2-methylene-4-[2-(trifluoromethyl)phenyl]nipecotic acid 3-phenylpropyl ester Formula: C23H22F3NO3 MolecularWeight: 417.42089

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(CC(=O)N1)C2=CC=CC=C2C(F)(F)F)C(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C=C1[C@H]([C@@H](CC(=O)N1)C2=CC=CC=C2C(F)(F)F)C(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C23H22F3NO3/c1-15-21(22(29)30-13-7-10-16-8-3-2-4-9-16)18(14-20(28)27-15)17-11-5-6-12-19(17)23(24,25)26/h2-6,8-9,11-12,18,21H,1,7,10,13-14H2,(H,27,28)/t18-,21+/m0/s1