1-[(3,4-dimethoxyphenyl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(2-methoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,4-dimethoxyphenyl)-(2-methoxyphenyl)methyl]isonipecotic acid Formula: C22H27NO5 MolecularWeight: 385.45348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC=CC=C2OC)N3CCC(CC3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC=CC=C2OC)N3CCC(CC3)C(=O)O)OC

InChI

InChI=1S/C22H27NO5/c1-26-18-7-5-4-6-17(18)21(23-12-10-15(11-13-23)22(24)25)16-8-9-19(27-2)20(14-16)28-3/h4-9,14-15,21H,10-13H2,1-3H3,(H,24,25)