1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(azepan-1-yl)-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(1-azepanyl)-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(azepan-1-yl)-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(azepan-1-yl)-2-keto-ethyl]nipecotic acid Formula: C14H24N2O3 MolecularWeight: 268.35196

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCCC(C2)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCCC(C2)C(=O)O

InChI

InChI=1S/C14H24N2O3/c17-13(16-8-3-1-2-4-9-16)11-15-7-5-6-12(10-15)14(18)19/h12H,1-11H2,(H,18,19)