(3S)-1-(3,4-dichlorophenyl)carbonylpiperidine-3-carboxylic acid

Systemtic Name: (3S)-1-(3,4-dichlorophenyl)carbonylpiperidine-3-carboxylic acid Openeye Name: (3S)-1-(3,4-dichlorobenzoyl)piperidine-3-carboxylic acid CAS Name: (3S)-1-[(3,4-dichlorophenyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(3,4-dichlorobenzoyl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-(3,4-dichlorobenzoyl)nipecotic acid Formula: C13H13Cl2NO3 MolecularWeight: 302.15322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13Cl2NO3/c14-10-4-3-8(6-11(10)15)12(17)16-5-1-2-9(7-16)13(18)19/h3-4,6,9H,1-2,5,7H2,(H,18,19)/t9-/m0/s1