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

Systemtic Name: 1-[(3,4-diethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]isonipecotic acid Formula: C26H35NO7 MolecularWeight: 473.5586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35NO7/c1-6-33-20-9-8-18(14-21(20)34-7-2)24(27-12-10-17(11-13-27)26(28)29)19-15-22(30-3)25(32-5)23(16-19)31-4/h8-9,14-17,24H,6-7,10-13H2,1-5H3,(H,28,29)