[3-[[5-(4-ethylphenyl)-6-phenyl-pyridin-2-yl]methylamino]-2-oxidanyl-propyl]phosphonic acid

Systemtic Name: [3-[[5-(4-ethylphenyl)-6-phenyl-pyridin-2-yl]methylamino]-2-oxidanyl-propyl]phosphonic acid Openeye Name: [3-[[5-(4-ethylphenyl)-6-phenyl-2-pyridyl]methylamino]-2-hydroxy-propyl]phosphonic acid CAS Name: [3-[[5-(4-ethylphenyl)-6-phenyl-2-pyridinyl]methylamino]-2-hydroxypropyl]phosphonic acid IUPAC Name: [3-[[5-(4-ethylphenyl)-6-phenylpyridin-2-yl]methylamino]-2-hydroxypropyl]phosphonic acid Traditional Name: [3-[[5-(4-ethylphenyl)-6-phenyl-2-pyridyl]methylamino]-2-hydroxy-propyl]phosphonic acid Formula: C23H27N2O4P MolecularWeight: 426.445241

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(N=C(C=C2)CNCC(CP(=O)(O)O)O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(N=C(C=C2)CNCC(CP(=O)(O)O)O)C3=CC=CC=C3

InChI

InChI=1S/C23H27N2O4P/c1-2-17-8-10-18(11-9-17)22-13-12-20(14-24-15-21(26)16-30(27,28)29)25-23(22)19-6-4-3-5-7-19/h3-13,21,24,26H,2,14-16H2,1H3,(H2,27,28,29)