[(3S,4R)-2,2-dimethyl-3-oxidanyl-4-(pyridin-2-ylcarbamoylamino)-3,4-dihydrochromen-6-yl]-phenyl-phosphinic acid

Systemtic Name: [(3S,4R)-2,2-dimethyl-3-oxidanyl-4-(pyridin-2-ylcarbamoylamino)-3,4-dihydrochromen-6-yl]-phenyl-phosphinic acid Openeye Name: [(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-pyridylcarbamoylamino)chroman-6-yl]-phenyl-phosphinic acid CAS Name: [(3S,4R)-3-hydroxy-2,2-dimethyl-4-[[oxo-(2-pyridinylamino)methyl]amino]-3,4-dihydro-2H-1-benzopyran-6-yl]-phenylphosphinic acid IUPAC Name: [(3S,4R)-3-hydroxy-2,2-dimethyl-4-(pyridin-2-ylcarbamoylamino)-3,4-dihydrochromen-6-yl]-phenylphosphinic acid Traditional Name: [(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-pyridylcarbamoylamino)chroman-6-yl]-phenyl-phosphinic acid Formula: C23H24N3O5P MolecularWeight: 453.427521

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)P(=O)(C3=CC=CC=C3)O)NC(=O)NC4=CC=CC=N4)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)P(=O)(C3=CC=CC=C3)O)NC(=O)NC4=CC=CC=N4)O)C

InChI

InChI=1S/C23H24N3O5P/c1-23(2)21(27)20(26-22(28)25-19-10-6-7-13-24-19)17-14-16(11-12-18(17)31-23)32(29,30)15-8-4-3-5-9-15/h3-14,20-21,27H,1-2H3,(H,29,30)(H2,24,25,26,28)/t20-,21+/m1/s1