O1-(6-chloranyl-1H-indol-3-yl) O3-ethyl 2-ethyl-2-[3-(trifluoromethyl)phenyl]carbonyl-propanedioate

Systemtic Name: O1-(6-chloranyl-1H-indol-3-yl) O3-ethyl 2-ethyl-2-[3-(trifluoromethyl)phenyl]carbonyl-propanedioate Openeye Name: O1-(6-chloro-1H-indol-3-yl) O3-ethyl 2-ethyl-2-[3-(trifluoromethyl)benzoyl]propanedioate CAS Name: 2-ethyl-2-[oxo-[3-(trifluoromethyl)phenyl]methyl]propanedioic acid O1-(6-chloro-1H-indol-3-yl) ester O3-ethyl ester IUPAC Name: 1-O-(6-chloro-1H-indol-3-yl) 3-O-ethyl 2-ethyl-2-[3-(trifluoromethyl)benzoyl]propanedioate Traditional Name: 2-ethyl-2-[3-(trifluoromethyl)benzoyl]malonic acid O1-(6-chloro-1H-indol-3-yl) ester O3-ethyl ester Formula: C23H19ClF3NO5 MolecularWeight: 481.84887

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC(=CC=C1)C(F)(F)F)(C(=O)OCC)C(=O)OC2=CNC3=C2C=CC(=C3)Cl

Isomeric SMILES

CCC(C(=O)C1=CC(=CC=C1)C(F)(F)F)(C(=O)OCC)C(=O)OC2=CNC3=C2C=CC(=C3)Cl

InChI

InChI=1S/C23H19ClF3NO5/c1-3-22(20(30)32-4-2,19(29)13-6-5-7-14(10-13)23(25,26)27)21(31)33-18-12-28-17-11-15(24)8-9-16(17)18/h5-12,28H,3-4H2,1-2H3