1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]nipecotic acid Formula: C15H18BrNO4 MolecularWeight: 356.21172

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC3=C(C=C2Br)OCCO3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CC2=CC3=C(C=C2Br)OCCO3)C(=O)O

InChI

InChI=1S/C15H18BrNO4/c16-12-7-14-13(20-4-5-21-14)6-11(12)9-17-3-1-2-10(8-17)15(18)19/h6-7,10H,1-5,8-9H2,(H,18,19)