1-[(3,4-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-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=CC(=C(C=C2)OC)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

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

InChI

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