[2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(benzofuran-2-yl)-2-oxo-ethyl] 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(2-benzofuranyl)-2-oxoethyl] ester IUPAC Name: [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid [2-(benzofuran-2-yl)-2-keto-ethyl] ester Formula: C27H19NO4 MolecularWeight: 421.44406

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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=CC=CC=C5O4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C27H19NO4/c1-17-10-12-18(13-11-17)23-15-21(20-7-3-4-8-22(20)28-23)27(30)31-16-24(29)26-14-19-6-2-5-9-25(19)32-26/h2-15H,16H2,1H3