[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]-[(phenylmethyl)amino]methyl]-phenethyl-phosphinic acid

Systemtic Name: [[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]-[(phenylmethyl)amino]methyl]-phenethyl-phosphinic acid Openeye Name: [(benzylamino)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methyl]-phenethyl-phosphinic acid CAS Name: [[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-[(phenylmethyl)amino]methyl]-phenethylphosphinic acid IUPAC Name: [(benzylamino)-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl]-phenethylphosphinic acid Traditional Name: [(benzylamino)-(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methyl]-phenethyl-phosphinic acid Formula: C23H27N2O4P MolecularWeight: 426.445241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C(NCC2=CC=CC=C2)P(=O)(CCC3=CC=CC=C3)O)CO

Isomeric SMILES

CC1=NC=C(C(=C1O)C(NCC2=CC=CC=C2)P(=O)(CCC3=CC=CC=C3)O)CO

InChI

InChI=1S/C23H27N2O4P/c1-17-22(27)21(20(16-26)15-24-17)23(25-14-19-10-6-3-7-11-19)30(28,29)13-12-18-8-4-2-5-9-18/h2-11,15,23,25-27H,12-14,16H2,1H3,(H,28,29)