(phenylmethyl) N-[N'-(4-azanylbutyl)-N-phenylmethoxycarbonyl-carbamimidoyl]carbamate

Systemtic Name: (phenylmethyl) N-[N'-(4-azanylbutyl)-N-phenylmethoxycarbonyl-carbamimidoyl]carbamate Openeye Name: benzyl N-[N'-(4-aminobutyl)-N-benzyloxycarbonyl-carbamimidoyl]carbamate CAS Name: N-[4-aminobutylimino(phenylmethoxycarbonylamino)methyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[N'-(4-aminobutyl)-N-phenylmethoxycarbonylcarbamimidoyl]carbamate Traditional Name: N-[N'-(4-aminobutyl)-N-carbobenzoxy-amidino]carbamic acid benzyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(=NCCCCN)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(=NCCCCN)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H26N4O4/c22-13-7-8-14-23-19(24-20(26)28-15-17-9-3-1-4-10-17)25-21(27)29-16-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16,22H2,(H2,23,24,25,26,27)