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

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 3-phenylpropanoate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid 3-(5-bromo-1,3-dioxo-2-isoindolyl)propyl ester IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C20H18BrNO4 MolecularWeight: 416.26522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C20H18BrNO4/c21-15-8-9-16-17(13-15)20(25)22(19(16)24)11-4-12-26-18(23)10-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,13H,4,7,10-12H2