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

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [2-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C(C(C)C)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)[C@H](C(C)C)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C23H27NO4/c1-15(2)22(24-21(26)13-18-8-6-5-7-9-18)23(27)28-14-20(25)19-12-16(3)10-11-17(19)4/h5-12,15,22H,13-14H2,1-4H3,(H,24,26)/t22-/m0/s1