3-[3-(5-bromanylpent-1-ynyl)phenyl]-2-methoxy-propanoic acid

Systemtic Name: 3-[3-(5-bromanylpent-1-ynyl)phenyl]-2-methoxy-propanoic acid Openeye Name: 3-[3-(5-bromopent-1-ynyl)phenyl]-2-methoxy-propanoic acid CAS Name: 3-[3-(5-bromopent-1-ynyl)phenyl]-2-methoxypropanoic acid IUPAC Name: 3-[3-(5-bromopent-1-ynyl)phenyl]-2-methoxypropanoic acid Traditional Name: 3-[3-(5-bromopent-1-ynyl)phenyl]-2-methoxy-propionic acid Formula: C15H17BrO3 MolecularWeight: 325.19768

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=CC=CC(=C1)C#CCCCBr)C(=O)O

Isomeric SMILES

COC(CC1=CC=CC(=C1)C#CCCCBr)C(=O)O

InChI

InChI=1S/C15H17BrO3/c1-19-14(15(17)18)11-13-8-5-7-12(10-13)6-3-2-4-9-16/h5,7-8,10,14H,2,4,9,11H2,1H3,(H,17,18)