(phenylmethyl) N-[(E,3R)-1-oxidanylidenehex-4-en-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(E,3R)-1-oxidanylidenehex-4-en-3-yl]carbamate Openeye Name: benzyl N-[(E,1R)-1-(2-oxoethyl)but-2-enyl]carbamate CAS Name: N-[(E,3R)-1-oxohex-4-en-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(E,3R)-1-oxohex-4-en-3-yl]carbamate Traditional Name: N-[(E,1R)-1-(2-ketoethyl)but-2-enyl]carbamic acid benzyl ester Formula: C14H17NO3 MolecularWeight: 247.28968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(CC=O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

C/C=C/[C@@H](CC=O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C14H17NO3/c1-2-6-13(9-10-16)15-14(17)18-11-12-7-4-3-5-8-12/h2-8,10,13H,9,11H2,1H3,(H,15,17)/b6-2+/t13-/m0/s1