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

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

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

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=C(C=C2)Br)C3=CC4=C(C=C3)OCO4)C(=O)O


Isomeric SMILES

C1CC(CN(C1)C(C2=CC=C(C=C2)Br)C3=CC4=C(C=C3)OCO4)C(=O)O


InChI

InChI=1S/C20H20BrNO4/c21-16-6-3-13(4-7-16)19(22-9-1-2-15(11-22)20(23)24)14-5-8-17-18(10-14)26-12-25-17/h3-8,10,15,19H,1-2,9,11-12H2,(H,23,24)


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