[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-methyl-butanoate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-methyl-butanoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H25NO4/c1-4-16-10-12-17(13-11-16)19(24)14-27-22(26)20(15(2)3)23-21(25)18-8-6-5-7-9-18/h5-13,15,20H,4,14H2,1-3H3,(H,23,25)/t20-/m0/s1