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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(4-dimethylaminophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(4-dimethylaminophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(4-dimethylaminophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(4-dimethylaminophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-dimethoxyphenyl)-(4-dimethylaminophenyl)methyl]nipecotic acid Formula: C23H30N2O4 MolecularWeight: 398.4953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4/c1-24(2)19-10-7-16(8-11-19)22(25-13-5-6-18(15-25)23(26)27)17-9-12-20(28-3)21(14-17)29-4/h7-12,14,18,22H,5-6,13,15H2,1-4H3,(H,26,27)