1-[1,3-benzodioxol-5-yl(1-benzothiophen-3-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl(1-benzothiophen-3-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(benzothiophen-3-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl(1-benzothiophen-3-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl(1-benzothiophen-3-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(benzothiophen-3-yl)methyl]isonipecotic acid Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CSC5=CC=CC=C54

InChI

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