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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(5-ethylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(5-ethyl-2-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(5-ethyl-2-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(5-ethylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(5-ethyl-2-thienyl)methyl]pipecolinic acid Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CC3=C(C=C2)OCO3)N4CCCCC4C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC3=C(C=C2)OCO3)N4CCCCC4C(=O)O

InChI

InChI=1S/C20H23NO4S/c1-2-14-7-9-18(26-14)19(21-10-4-3-5-15(21)20(22)23)13-6-8-16-17(11-13)25-12-24-16/h6-9,11,15,19H,2-5,10,12H2,1H3,(H,22,23)