diethyl 2-[4-chloranyl-2-(phenylcarbonyl)-1H-indol-3-yl]propanedioate

Systemtic Name: diethyl 2-[4-chloranyl-2-(phenylcarbonyl)-1H-indol-3-yl]propanedioate Openeye Name: diethyl 2-(2-benzoyl-4-chloro-1H-indol-3-yl)propanedioate CAS Name: 2-(2-benzoyl-4-chloro-1H-indol-3-yl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(2-benzoyl-4-chloro-1H-indol-3-yl)propanedioate Traditional Name: 2-(2-benzoyl-4-chloro-1H-indol-3-yl)malonic acid diethyl ester Formula: C22H20ClNO5 MolecularWeight: 413.8509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClNO5/c1-3-28-21(26)18(22(27)29-4-2)17-16-14(23)11-8-12-15(16)24-19(17)20(25)13-9-6-5-7-10-13/h5-12,18,24H,3-4H2,1-2H3