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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15Cl2NO3/c15-10-3-4-11(12(16)6-10)13(18)8-17-5-1-2-9(7-17)14(19)20/h3-4,6,9H,1-2,5,7-8H2,(H,19,20)/t9-/m0/s1