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

Systemtic Name: 1-[(3,4-diethoxyphenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(2,3-dimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(2,3-dimethoxyphenyl)methyl]isonipecotic acid Formula: C25H33NO6 MolecularWeight: 443.53262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=C(C(=CC=C2)OC)OC)N3CCC(CC3)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=C(C(=CC=C2)OC)OC)N3CCC(CC3)C(=O)O)OCC

InChI

InChI=1S/C25H33NO6/c1-5-31-20-11-10-18(16-22(20)32-6-2)23(26-14-12-17(13-15-26)25(27)28)19-8-7-9-21(29-3)24(19)30-4/h7-11,16-17,23H,5-6,12-15H2,1-4H3,(H,27,28)