1-[(3,4-diethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,4-diethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(2,5-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/c1-5-31-22-9-7-18(15-23(22)32-6-2)24(26-13-11-17(12-14-26)25(27)28)20-16-19(29-3)8-10-21(20)30-4/h7-10,15-17,24H,5-6,11-14H2,1-4H3,(H,27,28)