diethyl 2-[6-chloranyl-2-(phenylcarbonyl)-1H-indol-3-yl]-2-methyl-propanedioate

Systemtic Name: diethyl 2-[6-chloranyl-2-(phenylcarbonyl)-1H-indol-3-yl]-2-methyl-propanedioate Openeye Name: diethyl 2-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-methyl-propanedioate CAS Name: 2-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-methylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-methylpropanedioate Traditional Name: 2-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-methyl-malonic acid diethyl ester Formula: C23H22ClNO5 MolecularWeight: 427.87748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C1=C(NC2=C1C=CC(=C2)Cl)C(=O)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C)(C1=C(NC2=C1C=CC(=C2)Cl)C(=O)C3=CC=CC=C3)C(=O)OCC

InChI

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