(3S)-1-(3-cyanophenyl)carbonylpiperidine-3-carboxylic acid

Systemtic Name: (3S)-1-(3-cyanophenyl)carbonylpiperidine-3-carboxylic acid Openeye Name: (3S)-1-(3-cyanobenzoyl)piperidine-3-carboxylic acid CAS Name: (3S)-1-[(3-cyanophenyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(3-cyanobenzoyl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-(3-cyanobenzoyl)nipecotic acid Formula: C14H14N2O3 MolecularWeight: 258.27256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CC(=C2)C#N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O3/c15-8-10-3-1-4-11(7-10)13(17)16-6-2-5-12(9-16)14(18)19/h1,3-4,7,12H,2,5-6,9H2,(H,18,19)/t12-/m0/s1