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

Systemtic Name: 2-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]ethoxy]phenyl]ethyl-ethoxy-phosphinic acid Openeye Name: 2-[4-carbamimidoyl-2-[2-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]ethyl-ethoxy-phosphinic acid CAS Name: 2-[4-carbamimidoyl-2-[2-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]ethoxy]phenyl]ethyl-ethoxyphosphinic acid IUPAC Name: 2-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]ethyl-ethoxyphosphinic acid Traditional Name: 2-[4-amidino-2-[2-[[1-(4-pyridyl)isonipecotoyl]amino]ethoxy]phenyl]ethyl-ethoxy-phosphinic acid Formula: C24H34N5O5P MolecularWeight: 503.531021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N5O5P/c1-2-34-35(31,32)16-9-18-3-4-20(23(25)26)17-22(18)33-15-12-28-24(30)19-7-13-29(14-8-19)21-5-10-27-11-6-21/h3-6,10-11,17,19H,2,7-9,12-16H2,1H3,(H3,25,26)(H,28,30)(H,31,32)