[(2S)-1-oxidanylidene-1-[2-(phenylcarbonyl)hydrazinyl]propan-2-yl] 2-(butylamino)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[2-(phenylcarbonyl)hydrazinyl]propan-2-yl] 2-(butylamino)benzoate Openeye Name: [(1S)-2-(2-benzoylhydrazino)-1-methyl-2-oxo-ethyl] 2-(butylamino)benzoate CAS Name: 2-(butylamino)benzoic acid [(2S)-1-(benzoylhydrazo)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(butylamino)benzoate Traditional Name: 2-(butylamino)benzoic acid [(1S)-2-(N'-benzoylhydrazino)-2-keto-1-methyl-ethyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC=C1C(=O)OC(C)C(=O)NNC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCNC1=CC=CC=C1C(=O)O[C@@H](C)C(=O)NNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H25N3O4/c1-3-4-14-22-18-13-9-8-12-17(18)21(27)28-15(2)19(25)23-24-20(26)16-10-6-5-7-11-16/h5-13,15,22H,3-4,14H2,1-2H3,(H,23,25)(H,24,26)/t15-/m0/s1