ethyl 2-[4-chloranyl-2-(phenylcarbonyl)-1H-indol-3-yl]-2-ethanoylperoxycarbonyl-butanoate

Systemtic Name: ethyl 2-[4-chloranyl-2-(phenylcarbonyl)-1H-indol-3-yl]-2-ethanoylperoxycarbonyl-butanoate Openeye Name: ethyl 2-acetylperoxycarbonyl-2-(2-benzoyl-4-chloro-1H-indol-3-yl)butanoate CAS Name: 2-[acetyldioxy(oxo)methyl]-2-(2-benzoyl-4-chloro-1H-indol-3-yl)butanoic acid ethyl ester IUPAC Name: ethyl 2-acetylperoxycarbonyl-2-(2-benzoyl-4-chloro-1H-indol-3-yl)butanoate Traditional Name: 2-acetylperoxycarbonyl-2-(2-benzoyl-4-chloro-1H-indol-3-yl)butyric acid ethyl ester Formula: C24H22ClNO7 MolecularWeight: 471.88698

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(NC2=C1C(=CC=C2)Cl)C(=O)C3=CC=CC=C3)(C(=O)OCC)C(=O)OOC(=O)C

Isomeric SMILES

CCC(C1=C(NC2=C1C(=CC=C2)Cl)C(=O)C3=CC=CC=C3)(C(=O)OCC)C(=O)OOC(=O)C

InChI

InChI=1S/C24H22ClNO7/c1-4-24(22(29)31-5-2,23(30)33-32-14(3)27)19-18-16(25)12-9-13-17(18)26-20(19)21(28)15-10-7-6-8-11-15/h6-13,26H,4-5H2,1-3H3