1-[(2,4-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,4-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,4-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,4-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]isonipecotic acid Formula: C23H29NO6 MolecularWeight: 415.47946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO6/c1-27-16-6-8-20(29-3)19(13-16)22(24-11-9-15(10-12-24)23(25)26)18-7-5-17(28-2)14-21(18)30-4/h5-8,13-15,22H,9-12H2,1-4H3,(H,25,26)