[[(4-carbamimidoylphenyl)amino]-(3-methoxy-4-phenylmethoxy-phenyl)methyl]-phenylmethoxy-phosphinic acid

Systemtic Name: [[(4-carbamimidoylphenyl)amino]-(3-methoxy-4-phenylmethoxy-phenyl)methyl]-phenylmethoxy-phosphinic acid Openeye Name: benzyloxy-[(4-benzyloxy-3-methoxy-phenyl)-(4-carbamimidoylanilino)methyl]phosphinic acid CAS Name: [(4-carbamimidoylanilino)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-phenylmethoxyphosphinic acid IUPAC Name: [(4-carbamimidoylanilino)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-phenylmethoxyphosphinic acid Traditional Name: [(4-amidinoanilino)-(4-benzoxy-3-methoxy-phenyl)methyl]-benzoxy-phosphinic acid Formula: C29H30N3O5P MolecularWeight: 531.539361

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(NC2=CC=C(C=C2)C(=N)N)P(=O)(O)OCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(NC2=CC=C(C=C2)C(=N)N)P(=O)(O)OCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C29H30N3O5P/c1-35-27-18-24(14-17-26(27)36-19-21-8-4-2-5-9-21)29(32-25-15-12-23(13-16-25)28(30)31)38(33,34)37-20-22-10-6-3-7-11-22/h2-18,29,32H,19-20H2,1H3,(H3,30,31)(H,33,34)