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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(4-ethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(4-ethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(4-ethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(4-ethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(p-phenetyl)methyl]pipecolinic acid Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCCC4C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCCC4C(=O)O

InChI

InChI=1S/C22H25NO5/c1-2-26-17-9-6-15(7-10-17)21(23-12-4-3-5-18(23)22(24)25)16-8-11-19-20(13-16)28-14-27-19/h6-11,13,18,21H,2-5,12,14H2,1H3,(H,24,25)