[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid [2-(4-tert-butylphenyl)-2-keto-ethyl] ester Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=CC=C(C=C1)C(C)(C)C)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)C1=CC=C(C=C1)C(C)(C)C)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C25H31NO4/c1-17(2)23(26-22(28)15-18-9-7-6-8-10-18)24(29)30-16-21(27)19-11-13-20(14-12-19)25(3,4)5/h6-14,17,23H,15-16H2,1-5H3,(H,26,28)/t23-/m0/s1