1-[1,3-benzodioxol-5-yl-(2-bromophenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(2-bromophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(2-bromophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(2-bromophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(2-bromophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(2-bromophenyl)methyl]isonipecotic acid Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4Br

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4Br

InChI

InChI=1S/C20H20BrNO4/c21-16-4-2-1-3-15(16)19(22-9-7-13(8-10-22)20(23)24)14-5-6-17-18(11-14)26-12-25-17/h1-6,11,13,19H,7-10,12H2,(H,23,24)