(phenylmethyl) N-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-(azepan-1-yl)-1-benzyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-(1-azepanyl)-1-oxo-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-2-(azepan-1-yl)-1-benzyl-2-keto-ethyl]carbamic acid benzyl ester Formula: C23H28N2O3 MolecularWeight: 380.48002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O3/c26-22(25-15-9-1-2-10-16-25)21(17-19-11-5-3-6-12-19)24-23(27)28-18-20-13-7-4-8-14-20/h3-8,11-14,21H,1-2,9-10,15-18H2,(H,24,27)/t21-/m0/s1