2-[(E)-2-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[(E)-2-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[(E)-2-(3-bromo-5-ethoxy-4-methoxy-phenyl)vinyl]quinoline-4-carboxylic acid CAS Name: 2-[(E)-2-(3-bromo-5-ethoxy-4-methoxyphenyl)ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[(E)-2-(3-bromo-5-ethoxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[(E)-2-(3-bromo-5-ethoxy-4-methoxy-phenyl)vinyl]cinchoninic acid Formula: C21H18BrNO4 MolecularWeight: 428.27592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC2=NC3=CC=CC=C3C(=C2)C(=O)O)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C2=NC3=CC=CC=C3C(=C2)C(=O)O)Br)OC

InChI

InChI=1S/C21H18BrNO4/c1-3-27-19-11-13(10-17(22)20(19)26-2)8-9-14-12-16(21(24)25)15-6-4-5-7-18(15)23-14/h4-12H,3H2,1-2H3,(H,24,25)/b9-8+