cyclohexyl 2-[4-(4-tert-butylphenoxy)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: cyclohexyl 2-[4-(4-tert-butylphenoxy)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: cyclohexyl 2-[4-(4-tert-butylphenoxy)phenyl]-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[4-(4-tert-butylphenoxy)phenyl]-1,3-dioxo-5-isoindolecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[4-(4-tert-butylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-[4-(4-tert-butylphenoxy)phenyl]-1,3-diketo-isoindoline-5-carboxylic acid cyclohexyl ester Formula: C31H31NO5 MolecularWeight: 497.58154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)OC5CCCCC5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)OC5CCCCC5

InChI

InChI=1S/C31H31NO5/c1-31(2,3)21-10-14-24(15-11-21)36-25-16-12-22(13-17-25)32-28(33)26-18-9-20(19-27(26)29(32)34)30(35)37-23-7-5-4-6-8-23/h9-19,23H,4-8H2,1-3H3