5-diethoxyphosphorylpentyl-[[(phenylmethyl)amino]-quinolin-8-yl-methyl]phosphinic acid

Systemtic Name: 5-diethoxyphosphorylpentyl-[[(phenylmethyl)amino]-quinolin-8-yl-methyl]phosphinic acid Openeye Name: [(benzylamino)-(8-quinolyl)methyl]-(5-diethoxyphosphorylpentyl)phosphinic acid CAS Name: 5-diethoxyphosphorylpentyl-[[(phenylmethyl)amino]-(8-quinolinyl)methyl]phosphinic acid IUPAC Name: [(benzylamino)-quinolin-8-ylmethyl]-(5-diethoxyphosphorylpentyl)phosphinic acid Traditional Name: [(benzylamino)-(8-quinolyl)methyl]-(5-diethoxyphosphorylpentyl)phosphinic acid Formula: C26H36N2O5P2 MolecularWeight: 518.521962

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCCCP(=O)(C(C1=CC=CC2=C1N=CC=C2)NCC3=CC=CC=C3)O)OCC

Isomeric SMILES

CCOP(=O)(CCCCCP(=O)(C(C1=CC=CC2=C1N=CC=C2)NCC3=CC=CC=C3)O)OCC

InChI

InChI=1S/C26H36N2O5P2/c1-3-32-35(31,33-4-2)20-10-6-9-19-34(29,30)26(28-21-22-13-7-5-8-14-22)24-17-11-15-23-16-12-18-27-25(23)24/h5,7-8,11-18,26,28H,3-4,6,9-10,19-21H2,1-2H3,(H,29,30)