4-(2-nitro-1-phenyl-ethyl)-1-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 4-(2-nitro-1-phenyl-ethyl)-1-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 1-benzyl-4-(2-nitro-1-phenyl-ethyl)piperidine-4-carboxylic acid CAS Name: 4-(2-nitro-1-phenylethyl)-1-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 1-benzyl-4-(2-nitro-1-phenylethyl)piperidine-4-carboxylic acid Traditional Name: 1-benzyl-4-(2-nitro-1-phenyl-ethyl)isonipecotic acid Formula: C21H24N2O4 MolecularWeight: 368.42626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C(C[N+](=O)[O-])C2=CC=CC=C2)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1(C(C[N+](=O)[O-])C2=CC=CC=C2)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O4/c24-20(25)21(19(16-23(26)27)18-9-5-2-6-10-18)11-13-22(14-12-21)15-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H,24,25)