1-[(S)-(2-chlorophenyl)-cyano-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(S)-(2-chlorophenyl)-cyano-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(S)-(2-chlorophenyl)-cyano-methyl]piperidine-4-carboxylic acid CAS Name: 1-[(S)-(2-chlorophenyl)-cyanomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(S)-(2-chlorophenyl)-cyanomethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(S)-(2-chlorophenyl)-cyano-methyl]isonipecotic acid Formula: C14H15ClN2O2 MolecularWeight: 278.7341

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C#N)C2=CC=CC=C2Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)[C@H](C#N)C2=CC=CC=C2Cl

InChI

InChI=1S/C14H15ClN2O2/c15-12-4-2-1-3-11(12)13(9-16)17-7-5-10(6-8-17)14(18)19/h1-4,10,13H,5-8H2,(H,18,19)/t13-/m1/s1