[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoate

Systemtic Name: [4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoate Openeye Name: [4-(1,3-dioxoisoindolin-2-yl)phenyl] 4-(2-bromo-4-isopropyl-phenoxy)butanoate CAS Name: 4-(2-bromo-4-propan-2-ylphenoxy)butanoic acid [4-(1,3-dioxo-2-isoindolyl)phenyl] ester IUPAC Name: [4-(1,3-dioxoisoindol-2-yl)phenyl] 4-(2-bromo-4-propan-2-ylphenoxy)butanoate Traditional Name: 4-(2-bromo-4-isopropyl-phenoxy)butyric acid (4-phthalimidophenyl) ester Formula: C27H24BrNO5 MolecularWeight: 522.38716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)OCCCC(=O)OC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)Br

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)OCCCC(=O)OC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)Br

InChI

InChI=1S/C27H24BrNO5/c1-17(2)18-9-14-24(23(28)16-18)33-15-5-8-25(30)34-20-12-10-19(11-13-20)29-26(31)21-6-3-4-7-22(21)27(29)32/h3-4,6-7,9-14,16-17H,5,8,15H2,1-2H3