2-[(E)-2-[5-(2-methoxycarbonylphenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[(E)-2-[5-(2-methoxycarbonylphenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[(E)-2-[5-(2-methoxycarbonylphenyl)-2-furyl]vinyl]quinoline-4-carboxylic acid CAS Name: 2-[(E)-2-[5-(2-methoxycarbonylphenyl)-2-furanyl]ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[(E)-2-[5-(2-methoxycarbonylphenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[(E)-2-[5-(2-carbomethoxyphenyl)-2-furyl]vinyl]cinchoninic acid Formula: C24H17NO5 MolecularWeight: 399.39548

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=CC=C(O2)C=CC3=NC4=CC=CC=C4C(=C3)C(=O)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=CC=C(O2)/C=C/C3=NC4=CC=CC=C4C(=C3)C(=O)O

InChI

InChI=1S/C24H17NO5/c1-29-24(28)19-8-3-2-7-18(19)22-13-12-16(30-22)11-10-15-14-20(23(26)27)17-6-4-5-9-21(17)25-15/h2-14H,1H3,(H,26,27)/b11-10+