diethyl 2-[[2-cyclohexa-1,4-dien-1-ylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[2-cyclohexa-1,4-dien-1-ylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methylidene]propanedioate Openeye Name: diethyl 2-[[tert-butoxycarbonyl(2-cyclohexa-1,4-dien-1-ylethyl)amino]methylene]propanedioate CAS Name: 2-[[2-(1-cyclohexa-1,4-dienyl)ethyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-cyclohexa-1,4-dien-1-ylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methylidene]propanedioate Traditional Name: 2-[[tert-butoxycarbonyl(2-cyclohexa-1,4-dien-1-ylethyl)amino]methylene]malonic acid diethyl ester Formula: C21H31NO6 MolecularWeight: 393.47394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CN(CCC1=CCC=CC1)C(=O)OC(C)(C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CN(CCC1=CCC=CC1)C(=O)OC(C)(C)C)C(=O)OCC

InChI

InChI=1S/C21H31NO6/c1-6-26-18(23)17(19(24)27-7-2)15-22(20(25)28-21(3,4)5)14-13-16-11-9-8-10-12-16/h8-9,12,15H,6-7,10-11,13-14H2,1-5H3