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

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl] 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-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-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl] ester Formula: C27H21NO5 MolecularWeight: 439.45934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C27H21NO5/c1-17-6-8-18(9-7-17)23-15-21(20-4-2-3-5-22(20)28-23)27(30)33-16-24(29)19-10-11-25-26(14-19)32-13-12-31-25/h2-11,14-15H,12-13,16H2,1H3