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

Systemtic Name: 2-[(E)-2-(3-methoxy-4-phenylmethoxy-phenyl)ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[(E)-2-(4-benzyloxy-3-methoxy-phenyl)vinyl]quinoline-4-carboxylic acid CAS Name: 2-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[(E)-2-(4-benzoxy-3-methoxy-phenyl)vinyl]cinchoninic acid Formula: C26H21NO4 MolecularWeight: 411.44924

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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)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C2=NC3=CC=CC=C3C(=C2)C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H21NO4/c1-30-25-15-18(12-14-24(25)31-17-19-7-3-2-4-8-19)11-13-20-16-22(26(28)29)21-9-5-6-10-23(21)27-20/h2-16H,17H2,1H3,(H,28,29)/b13-11+