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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4Br)C(=O)O

InChI

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