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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrClNO4/c21-14-6-7-16-17(12-14)20(26)23(19(16)25)9-2-10-27-18(24)8-5-13-3-1-4-15(22)11-13/h1,3-4,6-7,11-12H,2,5,8-10H2