O1-[5-chloranyl-2-(3-methylphenyl)carbonyl-1H-indol-3-yl] O3-ethyl 2-acetyloxy-2-ethyl-propanedioate

Systemtic Name: O1-[5-chloranyl-2-(3-methylphenyl)carbonyl-1H-indol-3-yl] O3-ethyl 2-acetyloxy-2-ethyl-propanedioate Openeye Name: O1-[5-chloro-2-(3-methylbenzoyl)-1H-indol-3-yl] O3-ethyl 2-acetoxy-2-ethyl-propanedioate CAS Name: 2-acetyloxy-2-ethylpropanedioic acid O1-[5-chloro-2-[(3-methylphenyl)-oxomethyl]-1H-indol-3-yl] ester O3-ethyl ester IUPAC Name: 1-O-[5-chloro-2-(3-methylbenzoyl)-1H-indol-3-yl] 3-O-ethyl 2-acetyloxy-2-ethylpropanedioate Traditional Name: 2-acetoxy-2-ethyl-malonic acid O1-(5-chloro-2-m-toluoyl-1H-indol-3-yl) ester O3-ethyl ester Formula: C25H24ClNO7 MolecularWeight: 485.91356

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)(C(=O)OC1=C(NC2=C1C=C(C=C2)Cl)C(=O)C3=CC(=CC=C3)C)OC(=O)C

Isomeric SMILES

CCC(C(=O)OCC)(C(=O)OC1=C(NC2=C1C=C(C=C2)Cl)C(=O)C3=CC(=CC=C3)C)OC(=O)C

InChI

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