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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(4-dimethylaminophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(4-dimethylaminophenyl)methyl]isonipecotic acid Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4CCC(CC4)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C22H26N2O4/c1-23(2)18-6-3-15(4-7-18)21(24-11-9-16(10-12-24)22(25)26)17-5-8-19-20(13-17)28-14-27-19/h3-8,13,16,21H,9-12,14H2,1-2H3,(H,25,26)