O1-(6-chloranyl-1H-indol-3-yl) O3-ethyl 2-cyclohexylcarbonyl-2-ethyl-propanedioate

Systemtic Name: O1-(6-chloranyl-1H-indol-3-yl) O3-ethyl 2-cyclohexylcarbonyl-2-ethyl-propanedioate Openeye Name: O1-(6-chloro-1H-indol-3-yl) O3-ethyl 2-(cyclohexanecarbonyl)-2-ethyl-propanedioate CAS Name: 2-[cyclohexyl(oxo)methyl]-2-ethylpropanedioic acid O1-(6-chloro-1H-indol-3-yl) ester O3-ethyl ester IUPAC Name: 1-O-(6-chloro-1H-indol-3-yl) 3-O-ethyl 2-(cyclohexanecarbonyl)-2-ethylpropanedioate Traditional Name: 2-(cyclohexanecarbonyl)-2-ethyl-malonic acid O1-(6-chloro-1H-indol-3-yl) ester O3-ethyl ester Formula: C22H26ClNO5 MolecularWeight: 419.89854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1CCCCC1)(C(=O)OCC)C(=O)OC2=CNC3=C2C=CC(=C3)Cl

Isomeric SMILES

CCC(C(=O)C1CCCCC1)(C(=O)OCC)C(=O)OC2=CNC3=C2C=CC(=C3)Cl

InChI

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