(phenylmethyl) N-[3-cyano-1-oxidanylidene-1-[(1-oxidanyl-4-phenyl-butyl)amino]propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[3-cyano-1-oxidanylidene-1-[(1-oxidanyl-4-phenyl-butyl)amino]propan-2-yl]carbamate Openeye Name: benzyl N-[1-(cyanomethyl)-2-[(1-hydroxy-4-phenyl-butyl)amino]-2-oxo-ethyl]carbamate CAS Name: N-[3-cyano-1-[(1-hydroxy-4-phenylbutyl)amino]-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-cyano-1-[(1-hydroxy-4-phenylbutyl)amino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[1-(cyanomethyl)-2-[(1-hydroxy-4-phenyl-butyl)amino]-2-keto-ethyl]carbamic acid benzyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(NC(=O)C(CC#N)NC(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(NC(=O)C(CC#N)NC(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C22H25N3O4/c23-15-14-19(24-22(28)29-16-18-10-5-2-6-11-18)21(27)25-20(26)13-7-12-17-8-3-1-4-9-17/h1-6,8-11,19-20,26H,7,12-14,16H2,(H,24,28)(H,25,27)