2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline-4-carboxylate

Systemtic Name: 2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline-4-carboxylate Openeye Name: 2-[(E)-2-(2,4,5-trimethoxyphenyl)vinyl]quinoline-4-carboxylate CAS Name: 2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]-4-quinolinecarboxylate IUPAC Name: 2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline-4-carboxylate Traditional Name: 2-[(E)-2-asarylvinyl]cinchoninate Formula: C21H18NO5- MolecularWeight: 364.37132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=CC2=NC3=CC=CC=C3C(=C2)C(=O)[O-])OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=C/C2=NC3=CC=CC=C3C(=C2)C(=O)[O-])OC)OC

InChI

InChI=1S/C21H19NO5/c1-25-18-12-20(27-3)19(26-2)10-13(18)8-9-14-11-16(21(23)24)15-6-4-5-7-17(15)22-14/h4-12H,1-3H3,(H,23,24)/p-1/b9-8+