6-bromanyl-2-[(E)-2-[5-(4-ethoxycarbonylphenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-[(E)-2-[5-(4-ethoxycarbonylphenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[(E)-2-[5-(4-ethoxycarbonylphenyl)-2-furyl]vinyl]quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[(E)-2-[5-(4-ethoxycarbonylphenyl)-2-furanyl]ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(E)-2-[5-(4-ethoxycarbonylphenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-[(E)-2-[5-(4-carbethoxyphenyl)-2-furyl]vinyl]cinchoninic acid Formula: C25H18BrNO5 MolecularWeight: 492.31812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=CC3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C/C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)O

InChI

InChI=1S/C25H18BrNO5/c1-2-31-25(30)16-5-3-15(4-6-16)23-12-10-19(32-23)9-8-18-14-21(24(28)29)20-13-17(26)7-11-22(20)27-18/h3-14H,2H2,1H3,(H,28,29)/b9-8+