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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(5-ethylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(5-ethyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(5-ethyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(5-ethylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(5-ethyl-2-thienyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC3=C(C=C2)OCO3)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C20H23NO4S/c1-2-15-6-8-18(26-15)19(21-9-3-4-14(11-21)20(22)23)13-5-7-16-17(10-13)25-12-24-16/h5-8,10,14,19H,2-4,9,11-12H2,1H3,(H,22,23)