(phenylmethyl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-bromanyl-pentanoate

Systemtic Name: (phenylmethyl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-bromanyl-pentanoate Openeye Name: benzyl 5-bromo-2-(1,3-dioxoisoindolin-2-yl)pentanoate CAS Name: 5-bromo-2-(1,3-dioxo-2-isoindolyl)pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-bromo-2-(1,3-dioxoisoindol-2-yl)pentanoate Traditional Name: 5-bromo-2-phthalimido-valeric acid benzyl ester Formula: C20H18BrNO4 MolecularWeight: 416.26522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCCBr)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CCCBr)N2C(=O)C3=CC=CC=C3C2=O

InChI

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