[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] (2S)-2-acetamido-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] (2S)-2-acetamido-3-methyl-butanoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] (2S)-2-acetamido-3-methyl-butanoate CAS Name: (2S)-2-acetamido-3-methylbutanoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] (2S)-2-acetamido-3-methylbutanoate Traditional Name: (2S)-2-acetamido-3-methyl-butyric acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C(C(C)C)NC(=O)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)[C@H](C(C)C)NC(=O)C)C)C

InChI

InChI=1S/C18H25NO4/c1-10(2)17(19-14(6)20)18(22)23-9-16(21)15-8-12(4)11(3)7-13(15)5/h7-8,10,17H,9H2,1-6H3,(H,19,20)/t17-/m0/s1