2-[[(2S,6R)-2-cyano-6-methyl-piperidin-1-yl]amino]benzoic acid

Systemtic Name: 2-[[(2S,6R)-2-cyano-6-methyl-piperidin-1-yl]amino]benzoic acid Openeye Name: 2-[[(2S,6R)-2-cyano-6-methyl-1-piperidyl]amino]benzoic acid CAS Name: 2-[[(2S,6R)-2-cyano-6-methyl-1-piperidinyl]amino]benzoic acid IUPAC Name: 2-[[(2S,6R)-2-cyano-6-methylpiperidin-1-yl]amino]benzoic acid Traditional Name: 2-[[(2S,6R)-2-cyano-6-methyl-piperidino]amino]benzoic acid Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1NC2=CC=CC=C2C(=O)O)C#N

Isomeric SMILES

C[C@@H]1CCC[C@H](N1NC2=CC=CC=C2C(=O)O)C#N

InChI

InChI=1S/C14H17N3O2/c1-10-5-4-6-11(9-15)17(10)16-13-8-3-2-7-12(13)14(18)19/h2-3,7-8,10-11,16H,4-6H2,1H3,(H,18,19)/t10-,11+/m1/s1