O1-ethyl O3-(5-methyl-1H-indol-3-yl) 2-(4-chlorophenyl)carbonyl-2-ethyl-propanedioate

Systemtic Name: O1-ethyl O3-(5-methyl-1H-indol-3-yl) 2-(4-chlorophenyl)carbonyl-2-ethyl-propanedioate Openeye Name: O1-ethyl O3-(5-methyl-1H-indol-3-yl) 2-(4-chlorobenzoyl)-2-ethyl-propanedioate CAS Name: 2-[(4-chlorophenyl)-oxomethyl]-2-ethylpropanedioic acid O1-ethyl ester O3-(5-methyl-1H-indol-3-yl) ester IUPAC Name: 1-O-ethyl 3-O-(5-methyl-1H-indol-3-yl) 2-(4-chlorobenzoyl)-2-ethylpropanedioate Traditional Name: 2-(4-chlorobenzoyl)-2-ethyl-malonic acid O1-ethyl ester O3-(5-methyl-1H-indol-3-yl) ester Formula: C23H22ClNO5 MolecularWeight: 427.87748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClNO5/c1-4-23(21(27)29-5-2,20(26)15-7-9-16(24)10-8-15)22(28)30-19-13-25-18-11-6-14(3)12-17(18)19/h6-13,25H,4-5H2,1-3H3