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

Systemtic Name: 2-[(E)-2-[4-(carboxymethyloxy)-3-methoxy-phenyl]ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[(E)-2-[4-(carboxymethyloxy)-3-methoxy-phenyl]vinyl]quinoline-4-carboxylic acid CAS Name: 2-[(E)-2-[4-(carboxymethyloxy)-3-methoxyphenyl]ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[(E)-2-[4-(carboxymethyloxy)-3-methoxyphenyl]ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[(E)-2-[4-(carboxymethyloxy)-3-methoxy-phenyl]vinyl]cinchoninic acid Formula: C21H17NO6 MolecularWeight: 379.36278

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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(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO6/c1-27-19-10-13(7-9-18(19)28-12-20(23)24)6-8-14-11-16(21(25)26)15-4-2-3-5-17(15)22-14/h2-11H,12H2,1H3,(H,23,24)(H,25,26)/b8-6+