1-(1H-azepin-2-ylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(1H-azepin-2-ylmethyl)piperidine-4-carboxylic acid Openeye Name: 1-(1H-azepin-2-ylmethyl)piperidine-4-carboxylic acid CAS Name: 1-(1H-azepin-2-ylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(1H-azepin-2-ylmethyl)piperidine-4-carboxylic acid Traditional Name: 1-(1H-azepin-2-ylmethyl)isonipecotic acid Formula: C13H18N2O2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC2=CC=CC=CN2

Isomeric SMILES

C1CN(CCC1C(=O)O)CC2=CC=CC=CN2

InChI

InChI=1S/C13H18N2O2/c16-13(17)11-5-8-15(9-6-11)10-12-4-2-1-3-7-14-12/h1-4,7,11,14H,5-6,8-10H2,(H,16,17)