[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C27H20N2O3 MolecularWeight: 420.4593

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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=CNC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C27H20N2O3/c1-17-10-12-18(13-11-17)25-14-21(19-6-3-5-9-24(19)29-25)27(31)32-16-26(30)22-15-28-23-8-4-2-7-20(22)23/h2-15,28H,16H2,1H3