(phenylmethyl) N-[(4-carbamimidoylphenyl)-phosphonato-methyl]carbamate

Systemtic Name: (phenylmethyl) N-[(4-carbamimidoylphenyl)-phosphonato-methyl]carbamate Openeye Name: benzyl N-[(4-carbamimidoylphenyl)-phosphonato-methyl]carbamate CAS Name: N-[(4-carbamimidoylphenyl)-phosphonatomethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(4-carbamimidoylphenyl)-phosphonatomethyl]carbamate Traditional Name: N-[(4-amidinophenyl)-phosphonato-methyl]carbamic acid benzyl ester Formula: C16H16N3O5P-2 MolecularWeight: 361.289101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(C2=CC=C(C=C2)C(=N)N)P(=O)([O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(C2=CC=C(C=C2)C(=N)N)P(=O)([O-])[O-]

InChI

InChI=1S/C16H18N3O5P/c17-14(18)12-6-8-13(9-7-12)15(25(21,22)23)19-16(20)24-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H3,17,18)(H,19,20)(H2,21,22,23)/p-2