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

Systemtic Name: [2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-methyl-butanoate Openeye Name: [2-[4-(butanoylamino)phenyl]-2-oxo-ethyl] (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid [2-oxo-2-[4-(1-oxobutylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(butanoylamino)phenyl]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid [2-(4-butyramidophenyl)-2-keto-ethyl] ester Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C24H28N2O5/c1-4-8-21(28)25-19-13-11-17(12-14-19)20(27)15-31-24(30)22(16(2)3)26-23(29)18-9-6-5-7-10-18/h5-7,9-14,16,22H,4,8,15H2,1-3H3,(H,25,28)(H,26,29)/t22-/m0/s1