[1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] (2S)-2-benzamido-3-methyl-butanoate

Systemtic Name: [1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] (2S)-2-benzamido-3-methyl-butanoate Openeye Name: [2-[4-(butanoylamino)phenyl]-1-methyl-2-oxo-ethyl] (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid [1-oxo-1-[4-(1-oxobutylamino)phenyl]propan-2-yl] ester IUPAC Name: [1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid [2-(4-butyramidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O5/c1-5-9-21(28)26-20-14-12-18(13-15-20)23(29)17(4)32-25(31)22(16(2)3)27-24(30)19-10-7-6-8-11-19/h6-8,10-17,22H,5,9H2,1-4H3,(H,26,28)(H,27,30)/t17?,22-/m0/s1