1-[3-(4-bromanylphenoxy)propanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[3-(4-bromanylphenoxy)propanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[3-(4-bromophenoxy)propanoyl]piperidine-3-carboxylic acid CAS Name: 1-[3-(4-bromophenoxy)-1-oxopropyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[3-(4-bromophenoxy)propanoyl]piperidine-3-carboxylic acid Traditional Name: 1-[3-(4-bromophenoxy)propanoyl]nipecotic acid Formula: C15H18BrNO4 MolecularWeight: 356.21172

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCOC2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CCOC2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C15H18BrNO4/c16-12-3-5-13(6-4-12)21-9-7-14(18)17-8-1-2-11(10-17)15(19)20/h3-6,11H,1-2,7-10H2,(H,19,20)