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

Systemtic Name: 1-[1,3-benzodioxol-5-yl(1-benzothiophen-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(benzothiophen-2-yl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl(1-benzothiophen-2-yl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl(1-benzothiophen-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(benzothiophen-2-yl)methyl]pipecolinic acid Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C22H21NO4S/c24-22(25)16-6-3-4-10-23(16)21(15-8-9-17-18(11-15)27-13-26-17)20-12-14-5-1-2-7-19(14)28-20/h1-2,5,7-9,11-12,16,21H,3-4,6,10,13H2,(H,24,25)