N-[2-[5-carbamimidoyl-2-[(E)-2-diethoxyphosphorylethenyl]phenoxy]ethyl]-1-pyridin-4-yl-piperidine-4-carboxamide

Systemtic Name: N-[2-[5-carbamimidoyl-2-[(E)-2-diethoxyphosphorylethenyl]phenoxy]ethyl]-1-pyridin-4-yl-piperidine-4-carboxamide Openeye Name: N-[2-[5-carbamimidoyl-2-[(E)-2-diethoxyphosphorylvinyl]phenoxy]ethyl]-1-(4-pyridyl)piperidine-4-carboxamide CAS Name: N-[2-[5-carbamimidoyl-2-[(E)-2-diethoxyphosphorylethenyl]phenoxy]ethyl]-1-pyridin-4-yl-4-piperidinecarboxamide IUPAC Name: N-[2-[5-carbamimidoyl-2-[(E)-2-diethoxyphosphorylethenyl]phenoxy]ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide Traditional Name: N-[2-[5-amidino-2-[(E)-2-diethoxyphosphorylvinyl]phenoxy]ethyl]-1-(4-pyridyl)isonipecotamide Formula: C26H36N5O5P MolecularWeight: 529.568301

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C=CC1=C(C=C(C=C1)C(=N)N)OCCNC(=O)C2CCN(CC2)C3=CC=NC=C3)OCC

Isomeric SMILES

CCOP(=O)(/C=C/C1=C(C=C(C=C1)C(=N)N)OCCNC(=O)C2CCN(CC2)C3=CC=NC=C3)OCC

InChI

InChI=1S/C26H36N5O5P/c1-3-35-37(33,36-4-2)18-11-20-5-6-22(25(27)28)19-24(20)34-17-14-30-26(32)21-9-15-31(16-10-21)23-7-12-29-13-8-23/h5-8,11-13,18-19,21H,3-4,9-10,14-17H2,1-2H3,(H3,27,28)(H,30,32)/b18-11+