3-phenylpropyl (3S,4R)-4-(3,4-dichlorophenyl)-2-methylidene-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: 3-phenylpropyl (3S,4R)-4-(3,4-dichlorophenyl)-2-methylidene-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: 3-phenylpropyl (3S,4R)-4-(3,4-dichlorophenyl)-2-methylene-6-oxo-piperidine-3-carboxylate CAS Name: (3S,4R)-4-(3,4-dichlorophenyl)-2-methylene-6-oxo-3-piperidinecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl (3S,4R)-4-(3,4-dichlorophenyl)-2-methylidene-6-oxopiperidine-3-carboxylate Traditional Name: (3S,4R)-4-(3,4-dichlorophenyl)-6-keto-2-methylene-nipecotic acid 3-phenylpropyl ester Formula: C22H21Cl2NO3 MolecularWeight: 418.31304

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(CC(=O)N1)C2=CC(=C(C=C2)Cl)Cl)C(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H21Cl2NO3/c1-14-21(22(27)28-11-5-8-15-6-3-2-4-7-15)17(13-20(26)25-14)16-9-10-18(23)19(24)12-16/h2-4,6-7,9-10,12,17,21H,1,5,8,11,13H2,(H,25,26)/t17-,21+/m0/s1