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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(5-chloranylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(5-chloro-2-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(5-chloro-2-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(5-chlorothiophen-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(5-chloro-2-thienyl)methyl]pipecolinic acid Formula: C18H18ClNO4S MolecularWeight: 379.85782

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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=C(S4)Cl

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CC=C(S4)Cl

InChI

InChI=1S/C18H18ClNO4S/c19-16-7-6-15(25-16)17(20-8-2-1-3-12(20)18(21)22)11-4-5-13-14(9-11)24-10-23-13/h4-7,9,12,17H,1-3,8,10H2,(H,21,22)