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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(2,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(2,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(2,4,5-trimethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(2,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[asaryl(1,3-benzodioxol-5-yl)methyl]pipecolinic 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)N4CCCCC4C(=O)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(C2=CC3=C(C=C2)OCO3)N4CCCCC4C(=O)O)OC)OC

InChI

InChI=1S/C23H27NO7/c1-27-18-12-20(29-3)19(28-2)11-15(18)22(24-9-5-4-6-16(24)23(25)26)14-7-8-17-21(10-14)31-13-30-17/h7-8,10-12,16,22H,4-6,9,13H2,1-3H3,(H,25,26)