[(4-carbamimidoylphenyl)-(phenylmethoxycarbonylamino)methyl]-phenoxy-phosphinic acid hydrochloride

Systemtic Name: [(4-carbamimidoylphenyl)-(phenylmethoxycarbonylamino)methyl]-phenoxy-phosphinic acid hydrochloride Openeye Name: [benzyloxycarbonylamino-(4-carbamimidoylphenyl)methyl]-phenoxy-phosphinic acid hydrochloride CAS Name: [(4-carbamimidoylphenyl)-(phenylmethoxycarbonylamino)methyl]-phenoxyphosphinic acid hydrochloride IUPAC Name: [(4-carbamimidoylphenyl)-(phenylmethoxycarbonylamino)methyl]-phenoxyphosphinic acid hydrochloride Traditional Name: [(4-amidinophenyl)-(benzyloxycarbonylamino)methyl]-phenoxy-phosphinic acid hydrochloride Formula: C22H23ClN3O5P MolecularWeight: 475.861881

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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)(O)OC3=CC=CC=C3.Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H22N3O5P.ClH/c23-20(24)17-11-13-18(14-12-17)21(31(27,28)30-19-9-5-2-6-10-19)25-22(26)29-15-16-7-3-1-4-8-16;/h1-14,21H,15H2,(H3,23,24)(H,25,26)(H,27,28);1H