tert-butyl N-(3-azanylpropyl)-N-[3-[(phenylmethyl)amino]propyl]carbamate

Systemtic Name: tert-butyl N-(3-azanylpropyl)-N-[3-[(phenylmethyl)amino]propyl]carbamate Openeye Name: tert-butyl N-(3-aminopropyl)-N-[3-(benzylamino)propyl]carbamate CAS Name: N-(3-aminopropyl)-N-[3-[(phenylmethyl)amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(3-aminopropyl)-N-[3-(benzylamino)propyl]carbamate Traditional Name: N-(3-aminopropyl)-N-[3-(benzylamino)propyl]carbamic acid tert-butyl ester Formula: C18H31N3O2 MolecularWeight: 321.45764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCN)CCCNCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCN)CCCNCC1=CC=CC=C1

InChI

InChI=1S/C18H31N3O2/c1-18(2,3)23-17(22)21(13-7-11-19)14-8-12-20-15-16-9-5-4-6-10-16/h4-6,9-10,20H,7-8,11-15,19H2,1-3H3