1-(4-azanyl-2-cyano-phenyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(4-azanyl-2-cyano-phenyl)piperidine-4-carboxylic acid Openeye Name: 1-(4-amino-2-cyano-phenyl)piperidine-4-carboxylic acid CAS Name: 1-(4-amino-2-cyanophenyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(4-amino-2-cyanophenyl)piperidine-4-carboxylic acid Traditional Name: 1-(4-amino-2-cyano-phenyl)isonipecotic acid Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C=C(C=C2)N)C#N

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C=C(C=C2)N)C#N

InChI

InChI=1S/C13H15N3O2/c14-8-10-7-11(15)1-2-12(10)16-5-3-9(4-6-16)13(17)18/h1-2,7,9H,3-6,15H2,(H,17,18)