1-[1-(3,5-dimethoxy-4-phenylmethoxy-phenyl)ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-(3,5-dimethoxy-4-phenylmethoxy-phenyl)ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(4-benzyloxy-3,5-dimethoxy-phenyl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(3,5-dimethoxy-4-phenylmethoxyphenyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(3,5-dimethoxy-4-phenylmethoxyphenyl)ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(4-benzoxy-3,5-dimethoxy-phenyl)ethyl]nipecotic acid Formula: C23H29NO5 MolecularWeight: 399.48006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C(=C1)OC)OCC2=CC=CC=C2)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C(=C1)OC)OCC2=CC=CC=C2)OC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C23H29NO5/c1-16(24-11-7-10-18(14-24)23(25)26)19-12-20(27-2)22(21(13-19)28-3)29-15-17-8-5-4-6-9-17/h4-6,8-9,12-13,16,18H,7,10-11,14-15H2,1-3H3,(H,25,26)