(5-bromanyl-2-methoxy-phenyl)methyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid (5-bromo-2-methoxy-benzyl) ester Formula: C20H18BrNO5 MolecularWeight: 432.26462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)COC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)COC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H18BrNO5/c1-26-17-9-8-14(21)11-13(17)12-27-18(23)7-4-10-22-19(24)15-5-2-3-6-16(15)20(22)25/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3