(5-bromanyl-2-methoxy-phenyl)methyl 2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl 2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl 2-(3-methoxypropyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methoxypropyl)-1,3-dioxo-5-isoindolecarboxylic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl 2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(3-methoxypropyl)isoindoline-5-carboxylic acid (5-bromo-2-methoxy-benzyl) ester Formula: C21H20BrNO6 MolecularWeight: 462.2906

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H20BrNO6/c1-27-9-3-8-23-19(24)16-6-4-13(11-17(16)20(23)25)21(26)29-12-14-10-15(22)5-7-18(14)28-2/h4-7,10-11H,3,8-9,12H2,1-2H3