4-(phenylmethoxycarbonylaminomethyl)-1-pyridin-4-yl-piperidine-4-carboxylic acid

Systemtic Name: 4-(phenylmethoxycarbonylaminomethyl)-1-pyridin-4-yl-piperidine-4-carboxylic acid Openeye Name: 4-(benzyloxycarbonylaminomethyl)-1-(4-pyridyl)piperidine-4-carboxylic acid CAS Name: 4-(phenylmethoxycarbonylaminomethyl)-1-pyridin-4-yl-4-piperidinecarboxylic acid IUPAC Name: 4-(phenylmethoxycarbonylaminomethyl)-1-pyridin-4-ylpiperidine-4-carboxylic acid Traditional Name: 4-(benzyloxycarbonylaminomethyl)-1-(4-pyridyl)isonipecotic acid Formula: C20H23N3O4 MolecularWeight: 369.41432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CNC(=O)OCC2=CC=CC=C2)C(=O)O)C3=CC=NC=C3

Isomeric SMILES

C1CN(CCC1(CNC(=O)OCC2=CC=CC=C2)C(=O)O)C3=CC=NC=C3

InChI

InChI=1S/C20H23N3O4/c24-18(25)20(8-12-23(13-9-20)17-6-10-21-11-7-17)15-22-19(26)27-14-16-4-2-1-3-5-16/h1-7,10-11H,8-9,12-15H2,(H,22,26)(H,24,25)