6-bromanyl-2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[(E)-2-(2,4,5-trimethoxyphenyl)vinyl]quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[(E)-2-asarylvinyl]-6-bromo-cinchoninic acid Formula: C21H18BrNO5 MolecularWeight: 444.27532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=CC2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=C/C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O)OC)OC

InChI

InChI=1S/C21H18BrNO5/c1-26-18-11-20(28-3)19(27-2)8-12(18)4-6-14-10-16(21(24)25)15-9-13(22)5-7-17(15)23-14/h4-11H,1-3H3,(H,24,25)/b6-4+