2-[(E)-2-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethenyl]quinoline-4-carboxylate

Systemtic Name: 2-[(E)-2-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethenyl]quinoline-4-carboxylate Openeye Name: 2-[(E)-2-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)vinyl]quinoline-4-carboxylate CAS Name: 2-[(E)-2-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethenyl]-4-quinolinecarboxylate IUPAC Name: 2-[(E)-2-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethenyl]quinoline-4-carboxylate Traditional Name: 2-[(E)-2-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)vinyl]cinchoninate Formula: C21H16NO5- MolecularWeight: 362.35544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C=CC3=NC4=CC=CC=C4C(=C3)C(=O)[O-]

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)/C=C/C3=NC4=CC=CC=C4C(=C3)C(=O)[O-]

InChI

InChI=1S/C21H17NO5/c1-25-18-10-13(11-19-20(18)27-9-8-26-19)6-7-14-12-16(21(23)24)15-4-2-3-5-17(15)22-14/h2-7,10-12H,8-9H2,1H3,(H,23,24)/p-1/b7-6+