(E)-N-[(4-carbamimidoylphenyl)-diphenoxyphosphoryl-methyl]-3-pyridin-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[(4-carbamimidoylphenyl)-diphenoxyphosphoryl-methyl]-3-pyridin-2-yl-prop-2-enamide Openeye Name: (E)-N-[(4-carbamimidoylphenyl)-diphenoxyphosphoryl-methyl]-3-(2-pyridyl)prop-2-enamide CAS Name: (E)-N-[(4-carbamimidoylphenyl)-diphenoxyphosphorylmethyl]-3-(2-pyridinyl)-2-propenamide IUPAC Name: (E)-N-[(4-carbamimidoylphenyl)-diphenoxyphosphorylmethyl]-3-pyridin-2-ylprop-2-enamide Traditional Name: (E)-N-[(4-amidinophenyl)-diphenoxyphosphoryl-methyl]-3-(2-pyridyl)acrylamide Formula: C28H25N4O4P MolecularWeight: 512.496261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OP(=O)(C(C2=CC=C(C=C2)C(=N)N)NC(=O)C=CC3=CC=CC=N3)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)OP(=O)(C(C2=CC=C(C=C2)C(=N)N)NC(=O)/C=C/C3=CC=CC=N3)OC4=CC=CC=C4

InChI

InChI=1S/C28H25N4O4P/c29-27(30)21-14-16-22(17-15-21)28(32-26(33)19-18-23-9-7-8-20-31-23)37(34,35-24-10-3-1-4-11-24)36-25-12-5-2-6-13-25/h1-20,28H,(H3,29,30)(H,32,33)/b19-18+