3-[3,5-bis(bromanyl)-4-(pyridin-4-ylmethoxy)phenyl]propanoic acid

Systemtic Name: 3-[3,5-bis(bromanyl)-4-(pyridin-4-ylmethoxy)phenyl]propanoic acid Openeye Name: 3-[3,5-dibromo-4-(4-pyridylmethoxy)phenyl]propanoic acid CAS Name: 3-[3,5-dibromo-4-(pyridin-4-ylmethoxy)phenyl]propanoic acid IUPAC Name: 3-[3,5-dibromo-4-(pyridin-4-ylmethoxy)phenyl]propanoic acid Traditional Name: 3-[3,5-dibromo-4-(4-pyridylmethoxy)phenyl]propionic acid Formula: C15H13Br2NO3 MolecularWeight: 415.07662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1COC2=C(C=C(C=C2Br)CCC(=O)O)Br

Isomeric SMILES

C1=CN=CC=C1COC2=C(C=C(C=C2Br)CCC(=O)O)Br

InChI

InChI=1S/C15H13Br2NO3/c16-12-7-11(1-2-14(19)20)8-13(17)15(12)21-9-10-3-5-18-6-4-10/h3-8H,1-2,9H2,(H,19,20)