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

Systemtic Name: O1-(6-chloranyl-1H-indol-3-yl) O3-ethyl 2-ethyl-2-(2-methylphenyl)carbonyl-propanedioate Openeye Name: O1-(6-chloro-1H-indol-3-yl) O3-ethyl 2-ethyl-2-(2-methylbenzoyl)propanedioate CAS Name: 2-ethyl-2-[(2-methylphenyl)-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-(2-methylbenzoyl)propanedioate Traditional Name: 2-ethyl-2-o-toluoyl-malonic acid O1-(6-chloro-1H-indol-3-yl) ester O3-ethyl ester Formula: C23H22ClNO5 MolecularWeight: 427.87748

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1C)(C(=O)OCC)C(=O)OC2=CNC3=C2C=CC(=C3)Cl

Isomeric SMILES

CCC(C(=O)C1=CC=CC=C1C)(C(=O)OCC)C(=O)OC2=CNC3=C2C=CC(=C3)Cl

InChI

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