[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 2-butyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-butyl-1,3-dioxo-5-isoindolecarboxylic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-butyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-butyl-1,3-diketo-isoindoline-5-carboxylic acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C27H29NO5/c1-2-3-15-28-25(30)22-14-13-21(16-23(22)26(28)31)27(32)33-17-24(29)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h9-14,16,18H,2-8,15,17H2,1H3