diethyl 2-[1-(2-acetamido-2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl]propanedioate

Systemtic Name: diethyl 2-[1-(2-acetamido-2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl]propanedioate Openeye Name: diethyl 2-[2-(2-acetamidoindan-5-yl)-1-methyl-2-oxo-ethyl]propanedioate CAS Name: 2-[1-(2-acetamido-2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[1-(2-acetamido-2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl]propanedioate Traditional Name: 2-[2-(2-acetamidoindan-5-yl)-2-keto-1-methyl-ethyl]malonic acid diethyl ester Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C(=O)C1=CC2=C(CC(C2)NC(=O)C)C=C1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(C)C(=O)C1=CC2=C(CC(C2)NC(=O)C)C=C1)C(=O)OCC

InChI

InChI=1S/C21H27NO6/c1-5-27-20(25)18(21(26)28-6-2)12(3)19(24)15-8-7-14-10-17(22-13(4)23)11-16(14)9-15/h7-9,12,17-18H,5-6,10-11H2,1-4H3,(H,22,23)