2-phenylazanyl-2-(phenylcarbonyl)-1-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 2-phenylazanyl-2-(phenylcarbonyl)-1-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 2-anilino-2-benzoyl-1-benzyl-piperidine-4-carboxylic acid CAS Name: 2-anilino-2-benzoyl-1-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 2-anilino-2-benzoyl-1-benzylpiperidine-4-carboxylic acid Traditional Name: 2-anilino-2-benzoyl-1-benzyl-isonipecotic acid Formula: C26H26N2O3 MolecularWeight: 414.49624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1C(=O)O)(C(=O)C2=CC=CC=C2)NC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(C(CC1C(=O)O)(C(=O)C2=CC=CC=C2)NC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H26N2O3/c29-24(21-12-6-2-7-13-21)26(27-23-14-8-3-9-15-23)18-22(25(30)31)16-17-28(26)19-20-10-4-1-5-11-20/h1-15,22,27H,16-19H2,(H,30,31)