3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 2-(4-phenylphenoxy)ethanoate

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 2-(4-phenylphenoxy)ethanoate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl 2-(4-phenylphenoxy)acetate CAS Name: 2-(4-phenylphenoxy)acetic acid 3-(5-bromo-1,3-dioxo-2-isoindolyl)propyl ester IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl 2-(4-phenylphenoxy)acetate Traditional Name: 2-(4-phenylphenoxy)acetic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C25H20BrNO5 MolecularWeight: 494.334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)OCCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)OCCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C25H20BrNO5/c26-19-9-12-21-22(15-19)25(30)27(24(21)29)13-4-14-31-23(28)16-32-20-10-7-18(8-11-20)17-5-2-1-3-6-17/h1-3,5-12,15H,4,13-14,16H2