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

Systemtic Name: ethyl 3-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-chloro-3-[4-(1,3-dioxoisoindolin-2-yl)butanoylamino]benzofuran-2-carboxylate CAS Name: 5-chloro-3-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-3-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-1-benzofuran-2-carboxylate Traditional Name: 5-chloro-3-(4-phthalimidobutanoylamino)coumarilic acid ethyl ester Formula: C23H19ClN2O6 MolecularWeight: 454.85976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Cl)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Cl)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H19ClN2O6/c1-2-31-23(30)20-19(16-12-13(24)9-10-17(16)32-20)25-18(27)8-5-11-26-21(28)14-6-3-4-7-15(14)22(26)29/h3-4,6-7,9-10,12H,2,5,8,11H2,1H3,(H,25,27)