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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCCC4C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCCC4C(=O)O)OC)OC

InChI

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