diethyl 2-acetyloxy-2-(6-chloranyl-2-cyclohexylcarbonyl-1H-indol-3-yl)propanedioate

Systemtic Name: diethyl 2-acetyloxy-2-(6-chloranyl-2-cyclohexylcarbonyl-1H-indol-3-yl)propanedioate Openeye Name: diethyl 2-acetoxy-2-[6-chloro-2-(cyclohexanecarbonyl)-1H-indol-3-yl]propanedioate CAS Name: 2-acetyloxy-2-[6-chloro-2-[cyclohexyl(oxo)methyl]-1H-indol-3-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetyloxy-2-[6-chloro-2-(cyclohexanecarbonyl)-1H-indol-3-yl]propanedioate Traditional Name: 2-acetoxy-2-[6-chloro-2-(cyclohexanecarbonyl)-1H-indol-3-yl]malonic acid diethyl ester Formula: C24H28ClNO7 MolecularWeight: 477.93462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(NC2=C1C=CC(=C2)Cl)C(=O)C3CCCCC3)(C(=O)OCC)OC(=O)C

Isomeric SMILES

CCOC(=O)C(C1=C(NC2=C1C=CC(=C2)Cl)C(=O)C3CCCCC3)(C(=O)OCC)OC(=O)C

InChI

InChI=1S/C24H28ClNO7/c1-4-31-22(29)24(33-14(3)27,23(30)32-5-2)19-17-12-11-16(25)13-18(17)26-20(19)21(28)15-9-7-6-8-10-15/h11-13,15,26H,4-10H2,1-3H3