(3S)-1-[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[2-(3,4-dichlorophenyl)-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[2-(3,4-dichlorophenyl)-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[2-(3,4-dichlorophenyl)-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[2-(3,4-dichlorophenyl)-2-keto-ethyl]nipecotic acid Formula: C14H15Cl2NO3 MolecularWeight: 316.1798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)CC(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C14H15Cl2NO3/c15-11-4-3-9(6-12(11)16)13(18)8-17-5-1-2-10(7-17)14(19)20/h3-4,6,10H,1-2,5,7-8H2,(H,19,20)/t10-/m0/s1