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

Systemtic Name: 1-[(2,3-dimethoxyphenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,3-dimethoxyphenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,3-dimethoxyphenyl)-(2,4-dimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,3-dimethoxyphenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,3-dimethoxyphenyl)-(2,4-dimethoxyphenyl)methyl]isonipecotic acid Formula: C23H29NO6 MolecularWeight: 415.47946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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