methyl 3-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-5-bromanyl-1-benzofuran-2-carboxylate

Systemtic Name: methyl 3-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-5-bromanyl-1-benzofuran-2-carboxylate Openeye Name: methyl 5-bromo-3-[4-(1,3-dioxoisoindolin-2-yl)butanoylamino]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-2-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-(4-phthalimidobutanoylamino)coumarilic acid methyl ester Formula: C22H17BrN2O6 MolecularWeight: 485.28418

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H17BrN2O6/c1-30-22(29)19-18(15-11-12(23)8-9-16(15)31-19)24-17(26)7-4-10-25-20(27)13-5-2-3-6-14(13)21(25)28/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,24,26)