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

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C(C(C)C)NC(=O)CC2=CC=CC=C2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)[C@H](C(C)C)NC(=O)CC2=CC=CC=C2)C)C

InChI

InChI=1S/C24H29NO4/c1-15(2)23(25-22(27)13-19-9-7-6-8-10-19)24(28)29-14-21(26)20-12-17(4)16(3)11-18(20)5/h6-12,15,23H,13-14H2,1-5H3,(H,25,27)/t23-/m0/s1