(phenylmethyl) N-[(2S)-3-oxidanylidene-1-phenyl-oct-4-yn-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-3-oxidanylidene-1-phenyl-oct-4-yn-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-benzyl-2-oxo-hept-3-ynyl]carbamate CAS Name: N-[(2S)-3-oxo-1-phenyloct-4-yn-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-3-oxo-1-phenyloct-4-yn-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-keto-hept-3-ynyl]carbamic acid benzyl ester Formula: C22H23NO3 MolecularWeight: 349.42292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCC#CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H23NO3/c1-2-3-6-15-21(24)20(16-18-11-7-4-8-12-18)23-22(25)26-17-19-13-9-5-10-14-19/h4-5,7-14,20H,2-3,16-17H2,1H3,(H,23,25)/t20-/m0/s1