2-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]ethoxy]phenyl]ethyl-methyl-phosphinic acid

Systemtic Name: 2-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]ethoxy]phenyl]ethyl-methyl-phosphinic acid Openeye Name: 2-[4-carbamimidoyl-2-[2-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]ethyl-methyl-phosphinic acid CAS Name: 2-[4-carbamimidoyl-2-[2-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]ethoxy]phenyl]ethyl-methylphosphinic acid IUPAC Name: 2-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]ethyl-methylphosphinic acid Traditional Name: 2-[4-amidino-2-[2-[[1-(4-pyridyl)isonipecotoyl]amino]ethoxy]phenyl]ethyl-methyl-phosphinic acid Formula: C23H32N5O4P MolecularWeight: 473.505041

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Descriptors Computed from Structure

Canonical SMILES:

CP(=O)(CCC1=C(C=C(C=C1)C(=N)N)OCCNC(=O)C2CCN(CC2)C3=CC=NC=C3)O

Isomeric SMILES

CP(=O)(CCC1=C(C=C(C=C1)C(=N)N)OCCNC(=O)C2CCN(CC2)C3=CC=NC=C3)O

InChI

InChI=1S/C23H32N5O4P/c1-33(30,31)15-8-17-2-3-19(22(24)25)16-21(17)32-14-11-27-23(29)18-6-12-28(13-7-18)20-4-9-26-10-5-20/h2-5,9-10,16,18H,6-8,11-15H2,1H3,(H3,24,25)(H,27,29)(H,30,31)