2-[(E)-2-[4-(cyanomethoxy)-3-methoxy-phenyl]ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[(E)-2-[4-(cyanomethoxy)-3-methoxy-phenyl]ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[(E)-2-[4-(cyanomethoxy)-3-methoxy-phenyl]vinyl]quinoline-4-carboxylic acid CAS Name: 2-[(E)-2-[4-(cyanomethoxy)-3-methoxyphenyl]ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[(E)-2-[4-(cyanomethoxy)-3-methoxyphenyl]ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[(E)-2-[4-(cyanomethoxy)-3-methoxy-phenyl]vinyl]cinchoninic acid Formula: C21H16N2O4 MolecularWeight: 360.36274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=NC3=CC=CC=C3C(=C2)C(=O)O)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C2=NC3=CC=CC=C3C(=C2)C(=O)O)OCC#N

InChI

InChI=1S/C21H16N2O4/c1-26-20-12-14(7-9-19(20)27-11-10-22)6-8-15-13-17(21(24)25)16-4-2-3-5-18(16)23-15/h2-9,12-13H,11H2,1H3,(H,24,25)/b8-6+