diethyl 2-acetamido-2-[2-(2-azanyl-5-propan-2-yl-phenyl)-2-oxidanylidene-ethyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[2-(2-azanyl-5-propan-2-yl-phenyl)-2-oxidanylidene-ethyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[2-(2-amino-5-isopropyl-phenyl)-2-oxo-ethyl]propanedioate CAS Name: 2-acetamido-2-[2-(2-amino-5-propan-2-ylphenyl)-2-oxoethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[2-(2-amino-5-propan-2-ylphenyl)-2-oxoethyl]propanedioate Traditional Name: 2-acetamido-2-[2-(2-amino-5-isopropyl-phenyl)-2-keto-ethyl]malonic acid diethyl ester Formula: C20H28N2O6 MolecularWeight: 392.44612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)C1=C(C=CC(=C1)C(C)C)N)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC(=O)C1=C(C=CC(=C1)C(C)C)N)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C20H28N2O6/c1-6-27-18(25)20(22-13(5)23,19(26)28-7-2)11-17(24)15-10-14(12(3)4)8-9-16(15)21/h8-10,12H,6-7,11,21H2,1-5H3,(H,22,23)