O1-ethyl O3-methyl 2-[6-chloranyl-2-(phenylcarbonyl)-1H-indol-3-yl]-2-ethyl-propanedioate

Systemtic Name: O1-ethyl O3-methyl 2-[6-chloranyl-2-(phenylcarbonyl)-1H-indol-3-yl]-2-ethyl-propanedioate Openeye Name: O1-ethyl O3-methyl 2-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-ethyl-propanedioate CAS Name: 2-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-ethylpropanedioic acid O1-ethyl ester O3-methyl ester IUPAC Name: 1-O-ethyl 3-O-methyl 2-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-ethylpropanedioate Traditional Name: 2-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-ethyl-malonic acid O1-ethyl ester O3-methyl ester Formula: C23H22ClNO5 MolecularWeight: 427.87748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClNO5/c1-4-23(21(27)29-3,22(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