diethyl 2-(1H-indol-3-yl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate

Systemtic Name: diethyl 2-(1H-indol-3-yl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: diethyl 4-hydroxy-2-(1H-indol-3-yl)-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate CAS Name: 4-hydroxy-2-(1H-indol-3-yl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-hydroxy-2-(1H-indol-3-yl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate Traditional Name: 4-hydroxy-2-(1H-indol-3-yl)-6-keto-4-methyl-cyclohexane-1,3-dicarboxylic acid diethyl ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CNC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H25NO6/c1-4-27-19(24)17-15(23)10-21(3,26)18(20(25)28-5-2)16(17)13-11-22-14-9-7-6-8-12(13)14/h6-9,11,16-18,22,26H,4-5,10H2,1-3H3