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

Systemtic Name: diethyl 2-[2-(3-chlorophenyl)carbonyl-5-fluoranyl-1H-indol-3-yl]propanedioate Openeye Name: diethyl 2-[2-(3-chlorobenzoyl)-5-fluoro-1H-indol-3-yl]propanedioate CAS Name: 2-[2-[(3-chlorophenyl)-oxomethyl]-5-fluoro-1H-indol-3-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-(3-chlorobenzoyl)-5-fluoro-1H-indol-3-yl]propanedioate Traditional Name: 2-[2-(3-chlorobenzoyl)-5-fluoro-1H-indol-3-yl]malonic acid diethyl ester Formula: C22H19ClFNO5 MolecularWeight: 431.841363

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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(=CC=C3)Cl)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClFNO5/c1-3-29-21(27)18(22(28)30-4-2)17-15-11-14(24)8-9-16(15)25-19(17)20(26)12-6-5-7-13(23)10-12/h5-11,18,25H,3-4H2,1-2H3