[(1S)-2-oxidanylidenecyclohexyl] 2-(2,5-dimethylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2-(2,5-dimethylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 2-(2,5-dimethylphenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(2,5-dimethylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(2,5-dimethylphenyl)-1,3-diketo-isoindoline-5-carboxylic acid [(1S)-2-ketocyclohexyl] ester Formula: C23H21NO5 MolecularWeight: 391.41654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OC4CCCCC4=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O[C@H]4CCCCC4=O

InChI

InChI=1S/C23H21NO5/c1-13-7-8-14(2)18(11-13)24-21(26)16-10-9-15(12-17(16)22(24)27)23(28)29-20-6-4-3-5-19(20)25/h7-12,20H,3-6H2,1-2H3/t20-/m0/s1