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

Systemtic Name: diethyl 2-acetyloxy-2-[6-chloranyl-2-(4-fluorophenyl)carbonyl-1H-indol-3-yl]propanedioate Openeye Name: diethyl 2-acetoxy-2-[6-chloro-2-(4-fluorobenzoyl)-1H-indol-3-yl]propanedioate CAS Name: 2-acetyloxy-2-[6-chloro-2-[(4-fluorophenyl)-oxomethyl]-1H-indol-3-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetyloxy-2-[6-chloro-2-(4-fluorobenzoyl)-1H-indol-3-yl]propanedioate Traditional Name: 2-acetoxy-2-[6-chloro-2-(4-fluorobenzoyl)-1H-indol-3-yl]malonic acid diethyl ester Formula: C24H21ClFNO7 MolecularWeight: 489.877443

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=C(C=C3)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)F)(C(=O)OCC)OC(=O)C

InChI

InChI=1S/C24H21ClFNO7/c1-4-32-22(30)24(34-13(3)28,23(31)33-5-2)19-17-11-8-15(25)12-18(17)27-20(19)21(29)14-6-9-16(26)10-7-14/h6-12,27H,4-5H2,1-3H3