3-phenylpropyl (3S,4R)-4-(2-chloranyl-6-fluoranyl-phenyl)-2-methylidene-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: 3-phenylpropyl (3S,4R)-4-(2-chloranyl-6-fluoranyl-phenyl)-2-methylidene-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: 3-phenylpropyl (3S,4R)-4-(2-chloro-6-fluoro-phenyl)-2-methylene-6-oxo-piperidine-3-carboxylate CAS Name: (3S,4R)-4-(2-chloro-6-fluorophenyl)-2-methylene-6-oxo-3-piperidinecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl (3S,4R)-4-(2-chloro-6-fluorophenyl)-2-methylidene-6-oxopiperidine-3-carboxylate Traditional Name: (3S,4R)-4-(2-chloro-6-fluoro-phenyl)-6-keto-2-methylene-nipecotic acid 3-phenylpropyl ester Formula: C22H21ClFNO3 MolecularWeight: 401.858443

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(CC(=O)N1)C2=C(C=CC=C2Cl)F)C(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C=C1[C@H]([C@@H](CC(=O)N1)C2=C(C=CC=C2Cl)F)C(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C22H21ClFNO3/c1-14-20(22(27)28-12-6-9-15-7-3-2-4-8-15)16(13-19(26)25-14)21-17(23)10-5-11-18(21)24/h2-5,7-8,10-11,16,20H,1,6,9,12-13H2,(H,25,26)/t16-,20-/m1/s1