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

Systemtic Name: diethyl 2-(6-chloranyl-2-cyclohexylcarbonyl-1H-indol-3-yl)propanedioate Openeye Name: diethyl 2-[6-chloro-2-(cyclohexanecarbonyl)-1H-indol-3-yl]propanedioate CAS Name: 2-[6-chloro-2-[cyclohexyl(oxo)methyl]-1H-indol-3-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[6-chloro-2-(cyclohexanecarbonyl)-1H-indol-3-yl]propanedioate Traditional Name: 2-[6-chloro-2-(cyclohexanecarbonyl)-1H-indol-3-yl]malonic acid diethyl ester Formula: C22H26ClNO5 MolecularWeight: 419.89854

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClNO5/c1-3-28-21(26)18(22(27)29-4-2)17-15-11-10-14(23)12-16(15)24-19(17)20(25)13-8-6-5-7-9-13/h10-13,18,24H,3-9H2,1-2H3