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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC(=C(C=C2)OC)OC)N3CCCC(C3)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC(=C(C=C2)OC)OC)N3CCCC(C3)C(=O)O)OCC

InChI

InChI=1S/C25H33NO6/c1-5-31-21-12-10-18(15-23(21)32-6-2)24(26-13-7-8-19(16-26)25(27)28)17-9-11-20(29-3)22(14-17)30-4/h9-12,14-15,19,24H,5-8,13,16H2,1-4H3,(H,27,28)