diethyl 2-acetyloxy-2-[2-(4-chlorophenyl)carbonyl-5-fluoranyl-1H-indol-3-yl]propanedioate

Systemtic Name: diethyl 2-acetyloxy-2-[2-(4-chlorophenyl)carbonyl-5-fluoranyl-1H-indol-3-yl]propanedioate Openeye Name: diethyl 2-acetoxy-2-[2-(4-chlorobenzoyl)-5-fluoro-1H-indol-3-yl]propanedioate CAS Name: 2-acetyloxy-2-[2-[(4-chlorophenyl)-oxomethyl]-5-fluoro-1H-indol-3-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetyloxy-2-[2-(4-chlorobenzoyl)-5-fluoro-1H-indol-3-yl]propanedioate Traditional Name: 2-acetoxy-2-[2-(4-chlorobenzoyl)-5-fluoro-1H-indol-3-yl]malonic acid diethyl ester Formula: C24H21ClFNO7 MolecularWeight: 489.877443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(NC2=C1C=C(C=C2)F)C(=O)C3=CC=C(C=C3)Cl)(C(=O)OCC)OC(=O)C

Isomeric SMILES

CCOC(=O)C(C1=C(NC2=C1C=C(C=C2)F)C(=O)C3=CC=C(C=C3)Cl)(C(=O)OCC)OC(=O)C

InChI

InChI=1S/C24H21ClFNO7/c1-4-32-22(30)24(34-13(3)28,23(31)33-5-2)19-17-12-16(26)10-11-18(17)27-20(19)21(29)14-6-8-15(25)9-7-14/h6-12,27H,4-5H2,1-3H3