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

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

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

Canonical SMILES:

C1CC(CN(C1)C(C2=CC3=C(C=C2)OCO3)C4=CSC5=CC=CC=C54)C(=O)O


Isomeric SMILES

C1CC(CN(C1)C(C2=CC3=C(C=C2)OCO3)C4=CSC5=CC=CC=C54)C(=O)O


InChI

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


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