1-[1,3-benzodioxol-5-yl-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(2,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[asaryl(1,3-benzodioxol-5-yl)methyl]isonipecotic acid Formula: C23H27NO7 MolecularWeight: 429.46298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(C2=CC3=C(C=C2)OCO3)N4CCC(CC4)C(=O)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(C2=CC3=C(C=C2)OCO3)N4CCC(CC4)C(=O)O)OC)OC

InChI

InChI=1S/C23H27NO7/c1-27-18-12-20(29-3)19(28-2)11-16(18)22(24-8-6-14(7-9-24)23(25)26)15-4-5-17-21(10-15)31-13-30-17/h4-5,10-12,14,22H,6-9,13H2,1-3H3,(H,25,26)