(phenylmethyl) N-[3-(4-azanylbutylamino)propyl]-N-phenylmethoxycarbonyl-carbamate hydrochloride

Systemtic Name: (phenylmethyl) N-[3-(4-azanylbutylamino)propyl]-N-phenylmethoxycarbonyl-carbamate hydrochloride Openeye Name: benzyl N-[3-(4-aminobutylamino)propyl]-N-benzyloxycarbonyl-carbamate hydrochloride CAS Name: N-[3-(4-aminobutylamino)propyl]-N-phenylmethoxycarbonylcarbamic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl N-[3-(4-aminobutylamino)propyl]-N-phenylmethoxycarbonylcarbamate hydrochloride Traditional Name: N-[3-(4-aminobutylamino)propyl]-N-carbobenzoxy-carbamic acid benzyl ester hydrochloride Formula: C23H32ClN3O4 MolecularWeight: 449.97088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N(CCCNCCCCN)C(=O)OCC2=CC=CC=C2.Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N(CCCNCCCCN)C(=O)OCC2=CC=CC=C2.Cl

InChI

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