O1-(6-chloranyl-1H-indol-3-yl) O3-ethyl 2-ethyl-2-(4-fluorophenyl)carbonyl-propanedioate

Systemtic Name: O1-(6-chloranyl-1H-indol-3-yl) O3-ethyl 2-ethyl-2-(4-fluorophenyl)carbonyl-propanedioate Openeye Name: O1-(6-chloro-1H-indol-3-yl) O3-ethyl 2-ethyl-2-(4-fluorobenzoyl)propanedioate CAS Name: 2-ethyl-2-[(4-fluorophenyl)-oxomethyl]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-(4-fluorobenzoyl)propanedioate Traditional Name: 2-ethyl-2-(4-fluorobenzoyl)malonic acid O1-(6-chloro-1H-indol-3-yl) ester O3-ethyl ester Formula: C22H19ClFNO5 MolecularWeight: 431.841363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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