[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)cinchoninic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl] ester Formula: C28H23NO7 MolecularWeight: 485.48472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC5=C(C=C4)OCCO5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC5=C(C=C4)OCCO5)OC

InChI

InChI=1S/C28H23NO7/c1-32-24-9-7-17(13-26(24)33-2)22-15-20(19-5-3-4-6-21(19)29-22)28(31)36-16-23(30)18-8-10-25-27(14-18)35-12-11-34-25/h3-10,13-15H,11-12,16H2,1-2H3