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

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

Systemtic Name:1-[1,3-benzodioxol-5-yl-(2,3-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid
Openeye Name:1-[1,3-benzodioxol-5-yl-(2,3-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CAS Name:1-[1,3-benzodioxol-5-yl-(2,3-dimethoxyphenyl)methyl]-2-piperidinecarboxylic acid
IUPAC Name:1-[1,3-benzodioxol-5-yl-(2,3-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid
Traditional Name:1-[1,3-benzodioxol-5-yl-(2,3-dimethoxyphenyl)methyl]pipecolinic acid
Formula: C22H25NO6
MolecularWeight: 399.437
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC3=C(C=C2)OCO3)N4CCCCC4C(=O)O


Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC3=C(C=C2)OCO3)N4CCCCC4C(=O)O


InChI

InChI=1S/C22H25NO6/c1-26-18-8-5-6-15(21(18)27-2)20(23-11-4-3-7-16(23)22(24)25)14-9-10-17-19(12-14)29-13-28-17/h5-6,8-10,12,16,20H,3-4,7,11,13H2,1-2H3,(H,24,25)


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