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

Systemtic Name: diethyl 2-acetyloxy-2-[6-chloranyl-2-[4-(trifluoromethyl)phenyl]carbonyl-1H-indol-3-yl]propanedioate Openeye Name: diethyl 2-acetoxy-2-[6-chloro-2-[4-(trifluoromethyl)benzoyl]-1H-indol-3-yl]propanedioate CAS Name: 2-acetyloxy-2-[6-chloro-2-[oxo-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetyloxy-2-[6-chloro-2-[4-(trifluoromethyl)benzoyl]-1H-indol-3-yl]propanedioate Traditional Name: 2-acetoxy-2-[6-chloro-2-[4-(trifluoromethyl)benzoyl]-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)Cl)C(=O)C3=CC=C(C=C3)C(F)(F)F)(C(=O)OCC)OC(=O)C

Isomeric SMILES

CCOC(=O)C(C1=C(NC2=C1C=CC(=C2)Cl)C(=O)C3=CC=C(C=C3)C(F)(F)F)(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)19-17-11-10-16(26)12-18(17)30-20(19)21(32)14-6-8-15(9-7-14)25(27,28)29/h6-12,30H,4-5H2,1-3H3