diethyl 2-acetyloxy-2-[2-(4-chlorophenyl)carbonyl-6-(trifluoromethyl)-1H-indol-3-yl]propanedioate

Systemtic Name: diethyl 2-acetyloxy-2-[2-(4-chlorophenyl)carbonyl-6-(trifluoromethyl)-1H-indol-3-yl]propanedioate Openeye Name: diethyl 2-acetoxy-2-[2-(4-chlorobenzoyl)-6-(trifluoromethyl)-1H-indol-3-yl]propanedioate CAS Name: 2-acetyloxy-2-[2-[(4-chlorophenyl)-oxomethyl]-6-(trifluoromethyl)-1H-indol-3-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetyloxy-2-[2-(4-chlorobenzoyl)-6-(trifluoromethyl)-1H-indol-3-yl]propanedioate Traditional Name: 2-acetoxy-2-[2-(4-chlorobenzoyl)-6-(trifluoromethyl)-1H-indol-3-yl]malonic acid diethyl ester Formula: C25H21ClF3NO7 MolecularWeight: 539.88495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClF3NO7/c1-4-35-22(33)24(37-13(3)31,23(34)36-5-2)19-17-11-8-15(25(27,28)29)12-18(17)30-20(19)21(32)14-6-9-16(26)10-7-14/h6-12,30H,4-5H2,1-3H3