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

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 3-(4-chlorophenyl)propanoate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl 3-(4-chlorophenyl)propanoate CAS Name: 3-(4-chlorophenyl)propanoic acid 3-(5-bromo-1,3-dioxo-2-isoindolyl)propyl ester IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl 3-(4-chlorophenyl)propanoate Traditional Name: 3-(4-chlorophenyl)propionic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C20H17BrClNO4 MolecularWeight: 450.71028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br)Cl

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br)Cl

InChI

InChI=1S/C20H17BrClNO4/c21-14-5-8-16-17(12-14)20(26)23(19(16)25)10-1-11-27-18(24)9-4-13-2-6-15(22)7-3-13/h2-3,5-8,12H,1,4,9-11H2