5-bromanyl-2-oxidanyl-3-[(E)-3-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-enoyl]benzoic acid

Systemtic Name: 5-bromanyl-2-oxidanyl-3-[(E)-3-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-enoyl]benzoic acid Openeye Name: 5-bromo-2-hydroxy-3-[(E)-3-[4-(2-quinolylmethoxy)phenyl]prop-2-enoyl]benzoic acid CAS Name: 5-bromo-2-hydroxy-3-[(E)-1-oxo-3-[4-(2-quinolinylmethoxy)phenyl]prop-2-enyl]benzoic acid IUPAC Name: 5-bromo-2-hydroxy-3-[(E)-3-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-enoyl]benzoic acid Traditional Name: 5-bromo-2-hydroxy-3-[(E)-3-[4-(2-quinolylmethoxy)phenyl]acryloyl]benzoic acid Formula: C26H18BrNO5 MolecularWeight: 504.32882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)C=CC(=O)C4=CC(=CC(=C4O)C(=O)O)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)/C=C/C(=O)C4=CC(=CC(=C4O)C(=O)O)Br

InChI

InChI=1S/C26H18BrNO5/c27-18-13-21(25(30)22(14-18)26(31)32)24(29)12-7-16-5-10-20(11-6-16)33-15-19-9-8-17-3-1-2-4-23(17)28-19/h1-14,30H,15H2,(H,31,32)/b12-7+