[(2S)-1-oxidanylidene-1-[2-(phenylcarbonyl)hydrazinyl]propan-2-yl] 4-(4-methylphenoxy)butanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[2-(phenylcarbonyl)hydrazinyl]propan-2-yl] 4-(4-methylphenoxy)butanoate Openeye Name: [(1S)-2-(2-benzoylhydrazino)-1-methyl-2-oxo-ethyl] 4-(4-methylphenoxy)butanoate CAS Name: 4-(4-methylphenoxy)butanoic acid [(2S)-1-(benzoylhydrazo)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-(4-methylphenoxy)butanoate Traditional Name: 4-(4-methylphenoxy)butyric acid [(1S)-2-(N'-benzoylhydrazino)-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)OC(C)C(=O)NNC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)O[C@@H](C)C(=O)NNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H24N2O5/c1-15-10-12-18(13-11-15)27-14-6-9-19(24)28-16(2)20(25)22-23-21(26)17-7-4-3-5-8-17/h3-5,7-8,10-13,16H,6,9,14H2,1-2H3,(H,22,25)(H,23,26)/t16-/m0/s1