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

Systemtic Name: butyl 2-[4-(4-tert-butylphenoxy)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C29H29NO5 MolecularWeight: 471.54426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C29H29NO5/c1-5-6-17-34-28(33)19-7-16-24-25(18-19)27(32)30(26(24)31)21-10-14-23(15-11-21)35-22-12-8-20(9-13-22)29(2,3)4/h7-16,18H,5-6,17H2,1-4H3