(phenylmethyl) N-(4-azanylbutyl)-N-[3-(phenylmethoxycarbonylamino)propyl]carbamate

Systemtic Name: (phenylmethyl) N-(4-azanylbutyl)-N-[3-(phenylmethoxycarbonylamino)propyl]carbamate Openeye Name: benzyl N-(4-aminobutyl)-N-[3-(benzyloxycarbonylamino)propyl]carbamate CAS Name: N-(4-aminobutyl)-N-[3-(phenylmethoxycarbonylamino)propyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(4-aminobutyl)-N-[3-(phenylmethoxycarbonylamino)propyl]carbamate Traditional Name: N-(4-aminobutyl)-N-[3-(benzyloxycarbonylamino)propyl]carbamic acid benzyl ester Formula: C23H31N3O4 MolecularWeight: 413.50994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCN(CCCCN)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCN(CCCCN)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H31N3O4/c24-14-7-8-16-26(23(28)30-19-21-12-5-2-6-13-21)17-9-15-25-22(27)29-18-20-10-3-1-4-11-20/h1-6,10-13H,7-9,14-19,24H2,(H,25,27)