1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,3-dimethoxyphenyl)-m-phenetyl-methyl]nipecotic acid Formula: C23H29NO5 MolecularWeight: 399.48006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C2=C(C(=CC=C2)OC)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C2=C(C(=CC=C2)OC)OC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C23H29NO5/c1-4-29-18-10-5-8-16(14-18)21(24-13-7-9-17(15-24)23(25)26)19-11-6-12-20(27-2)22(19)28-3/h5-6,8,10-12,14,17,21H,4,7,9,13,15H2,1-3H3,(H,25,26)