[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-quinolin-5-yl-isoindole-5-carboxylate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-quinolin-5-yl-isoindole-5-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 1,3-dioxo-2-(5-quinolyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-(5-quinolinyl)-5-isoindolecarboxylic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 1,3-dioxo-2-quinolin-5-ylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(5-quinolyl)isoindoline-5-carboxylic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C28H20N2O5 MolecularWeight: 464.4688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC5=C4C=CC=N5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC5=C4C=CC=N5)C

InChI

InChI=1S/C28H20N2O5/c1-16-8-9-18(13-17(16)2)25(31)15-35-28(34)19-10-11-20-22(14-19)27(33)30(26(20)32)24-7-3-6-23-21(24)5-4-12-29-23/h3-14H,15H2,1-2H3