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

Systemtic Name: 1-[1,3-benzodioxol-5-yl(1-benzothiophen-3-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(benzothiophen-3-yl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl(1-benzothiophen-3-yl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl(1-benzothiophen-3-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(benzothiophen-3-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=CSC5=CC=CC=C54

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CSC5=CC=CC=C54

InChI

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