(phenylmethyl) N-[3-[4-(3-azanylpropylamino)butylamino]propyl]-N-phenylmethoxycarbonyl-carbamate

Systemtic Name: (phenylmethyl) N-[3-[4-(3-azanylpropylamino)butylamino]propyl]-N-phenylmethoxycarbonyl-carbamate Openeye Name: benzyl N-[3-[4-(3-aminopropylamino)butylamino]propyl]-N-benzyloxycarbonyl-carbamate CAS Name: N-[3-[4-(3-aminopropylamino)butylamino]propyl]-N-phenylmethoxycarbonylcarbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-[4-(3-aminopropylamino)butylamino]propyl]-N-phenylmethoxycarbonylcarbamate Traditional Name: N-[3-[4-(3-aminopropylamino)butylamino]propyl]-N-carbobenzoxy-carbamic acid benzyl ester Formula: C26H38N4O4 MolecularWeight: 470.60432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N(CCCNCCCCNCCCN)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N(CCCNCCCCNCCCN)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C26H38N4O4/c27-15-9-18-28-16-7-8-17-29-19-10-20-30(25(31)33-21-23-11-3-1-4-12-23)26(32)34-22-24-13-5-2-6-14-24/h1-6,11-14,28-29H,7-10,15-22,27H2