O1-acetamido O3-[2-(2-azanyl-5-propan-2-yl-phenyl)-2-oxidanylidene-ethyl] 2,2-diethylpropanedioate

Systemtic Name: O1-acetamido O3-[2-(2-azanyl-5-propan-2-yl-phenyl)-2-oxidanylidene-ethyl] 2,2-diethylpropanedioate Openeye Name: O1-acetamido O3-[2-(2-amino-5-isopropyl-phenyl)-2-oxo-ethyl] 2,2-diethylpropanedioate CAS Name: 2,2-diethylpropanedioic acid O1-acetamido ester O3-[2-(2-amino-5-propan-2-ylphenyl)-2-oxoethyl] ester IUPAC Name: 1-O-acetamido 3-O-[2-(2-amino-5-propan-2-ylphenyl)-2-oxoethyl] 2,2-diethylpropanedioate Traditional Name: 2,2-diethylmalonic acid O1-acetamido ester O3-[2-(2-amino-5-isopropyl-phenyl)-2-keto-ethyl] ester Formula: C20H28N2O6 MolecularWeight: 392.44612

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)OCC(=O)C1=C(C=CC(=C1)C(C)C)N)C(=O)ONC(=O)C

Isomeric SMILES

CCC(CC)(C(=O)OCC(=O)C1=C(C=CC(=C1)C(C)C)N)C(=O)ONC(=O)C

InChI

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