2-[(E)-2-[5-(4-ethoxycarbonylphenyl)furan-2-yl]ethenyl]quinoline-4-carboxylate

Systemtic Name: 2-[(E)-2-[5-(4-ethoxycarbonylphenyl)furan-2-yl]ethenyl]quinoline-4-carboxylate Openeye Name: 2-[(E)-2-[5-(4-ethoxycarbonylphenyl)-2-furyl]vinyl]quinoline-4-carboxylate CAS Name: 2-[(E)-2-[5-(4-ethoxycarbonylphenyl)-2-furanyl]ethenyl]-4-quinolinecarboxylate IUPAC Name: 2-[(E)-2-[5-(4-ethoxycarbonylphenyl)furan-2-yl]ethenyl]quinoline-4-carboxylate Traditional Name: 2-[(E)-2-[5-(4-carbethoxyphenyl)-2-furyl]vinyl]cinchoninate Formula: C25H18NO5- MolecularWeight: 412.41412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=CC3=NC4=CC=CC=C4C(=C3)C(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C/C3=NC4=CC=CC=C4C(=C3)C(=O)[O-]

InChI

InChI=1S/C25H19NO5/c1-2-30-25(29)17-9-7-16(8-10-17)23-14-13-19(31-23)12-11-18-15-21(24(27)28)20-5-3-4-6-22(20)26-18/h3-15H,2H2,1H3,(H,27,28)/p-1/b12-11+