1-[1-(3-ethoxy-4-phenylmethoxy-phenyl)propyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-(3-ethoxy-4-phenylmethoxy-phenyl)propyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(4-benzyloxy-3-ethoxy-phenyl)propyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(3-ethoxy-4-phenylmethoxyphenyl)propyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(3-ethoxy-4-phenylmethoxyphenyl)propyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(4-benzoxy-3-ethoxy-phenyl)propyl]nipecotic acid Formula: C24H31NO4 MolecularWeight: 397.50724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=C(C=C1)OCC2=CC=CC=C2)OCC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC(C1=CC(=C(C=C1)OCC2=CC=CC=C2)OCC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C24H31NO4/c1-3-21(25-14-8-11-20(16-25)24(26)27)19-12-13-22(23(15-19)28-4-2)29-17-18-9-6-5-7-10-18/h5-7,9-10,12-13,15,20-21H,3-4,8,11,14,16-17H2,1-2H3,(H,26,27)