(phenylmethyl) N-[(4-carbamimidoylphenyl)-diphenoxyphosphoryl-methyl]carbamate hydrochloride

Systemtic Name: (phenylmethyl) N-[(4-carbamimidoylphenyl)-diphenoxyphosphoryl-methyl]carbamate hydrochloride Openeye Name: benzyl N-[(4-carbamimidoylphenyl)-diphenoxyphosphoryl-methyl]carbamate hydrochloride CAS Name: N-[(4-carbamimidoylphenyl)-diphenoxyphosphorylmethyl]carbamic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl N-[(4-carbamimidoylphenyl)-diphenoxyphosphorylmethyl]carbamate hydrochloride Traditional Name: N-[(4-amidinophenyl)-diphenoxyphosphoryl-methyl]carbamic acid benzyl ester hydrochloride Formula: C28H27ClN3O5P MolecularWeight: 551.957841

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(C2=CC=C(C=C2)C(=N)N)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4.Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(C2=CC=C(C=C2)C(=N)N)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4.Cl

InChI

InChI=1S/C28H26N3O5P.ClH/c29-26(30)22-16-18-23(19-17-22)27(31-28(32)34-20-21-10-4-1-5-11-21)37(33,35-24-12-6-2-7-13-24)36-25-14-8-3-9-15-25;/h1-19,27H,20H2,(H3,29,30)(H,31,32);1H