diethyl 2-acetyloxy-2-[6-chloranyl-2-(3-methylphenyl)carbonyl-1H-indol-3-yl]propanedioate

Systemtic Name: diethyl 2-acetyloxy-2-[6-chloranyl-2-(3-methylphenyl)carbonyl-1H-indol-3-yl]propanedioate Openeye Name: diethyl 2-acetoxy-2-[6-chloro-2-(3-methylbenzoyl)-1H-indol-3-yl]propanedioate CAS Name: 2-acetyloxy-2-[6-chloro-2-[(3-methylphenyl)-oxomethyl]-1H-indol-3-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetyloxy-2-[6-chloro-2-(3-methylbenzoyl)-1H-indol-3-yl]propanedioate Traditional Name: 2-acetoxy-2-(6-chloro-2-m-toluoyl-1H-indol-3-yl)malonic acid diethyl ester Formula: C25H24ClNO7 MolecularWeight: 485.91356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClNO7/c1-5-32-23(30)25(34-15(4)28,24(31)33-6-2)20-18-11-10-17(26)13-19(18)27-21(20)22(29)16-9-7-8-14(3)12-16/h7-13,27H,5-6H2,1-4H3