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

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

Systemtic Name:1-[1,3-benzodioxol-5-yl(thiophen-2-yl)methyl]piperidine-2-carboxylic acid
Openeye Name:1-[1,3-benzodioxol-5-yl(2-thienyl)methyl]piperidine-2-carboxylic acid
CAS Name:1-[1,3-benzodioxol-5-yl(thiophen-2-yl)methyl]-2-piperidinecarboxylic acid
IUPAC Name:1-[1,3-benzodioxol-5-yl(thiophen-2-yl)methyl]piperidine-2-carboxylic acid
Traditional Name:1-[1,3-benzodioxol-5-yl(2-thienyl)methyl]pipecolinic acid
Formula: C18H19NO4S
MolecularWeight: 345.41276
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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CC=CS4


Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CC=CS4


InChI

InChI=1S/C18H19NO4S/c20-18(21)13-4-1-2-8-19(13)17(16-5-3-9-24-16)12-6-7-14-15(10-12)23-11-22-14/h3,5-7,9-10,13,17H,1-2,4,8,11H2,(H,20,21)


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