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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4Br

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4Br

InChI

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