O1-ethyl O3-(1H-indol-3-yl) 2-(4-chlorophenyl)carbonyl-2-ethyl-propanedioate

Systemtic Name: O1-ethyl O3-(1H-indol-3-yl) 2-(4-chlorophenyl)carbonyl-2-ethyl-propanedioate Openeye Name: O1-ethyl O3-(1H-indol-3-yl) 2-(4-chlorobenzoyl)-2-ethyl-propanedioate CAS Name: 2-[(4-chlorophenyl)-oxomethyl]-2-ethylpropanedioic acid O1-ethyl ester O3-(1H-indol-3-yl) ester IUPAC Name: 1-O-ethyl 3-O-(1H-indol-3-yl) 2-(4-chlorobenzoyl)-2-ethylpropanedioate Traditional Name: 2-(4-chlorobenzoyl)-2-ethyl-malonic acid O1-ethyl ester O3-(1H-indol-3-yl) ester Formula: C22H20ClNO5 MolecularWeight: 413.8509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=C(C=C1)Cl)(C(=O)OCC)C(=O)OC2=CNC3=CC=CC=C32

Isomeric SMILES

CCC(C(=O)C1=CC=C(C=C1)Cl)(C(=O)OCC)C(=O)OC2=CNC3=CC=CC=C32

InChI

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