diethyl 2-[5-chloranyl-2-(3-methylphenyl)carbonyl-1H-indol-3-yl]propanedioate

Systemtic Name: diethyl 2-[5-chloranyl-2-(3-methylphenyl)carbonyl-1H-indol-3-yl]propanedioate Openeye Name: diethyl 2-[5-chloro-2-(3-methylbenzoyl)-1H-indol-3-yl]propanedioate CAS Name: 2-[5-chloro-2-[(3-methylphenyl)-oxomethyl]-1H-indol-3-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[5-chloro-2-(3-methylbenzoyl)-1H-indol-3-yl]propanedioate Traditional Name: 2-(5-chloro-2-m-toluoyl-1H-indol-3-yl)malonic acid diethyl ester Formula: C23H22ClNO5 MolecularWeight: 427.87748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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