[2-methyl-6-[4-(oxan-2-yloxymethyl)phenyl]quinolin-8-yl]phosphonic acid

Systemtic Name: [2-methyl-6-[4-(oxan-2-yloxymethyl)phenyl]quinolin-8-yl]phosphonic acid Openeye Name: [2-methyl-6-[4-(tetrahydropyran-2-yloxymethyl)phenyl]-8-quinolyl]phosphonic acid CAS Name: [2-methyl-6-[4-(2-oxanyloxymethyl)phenyl]-8-quinolinyl]phosphonic acid IUPAC Name: [2-methyl-6-[4-(oxan-2-yloxymethyl)phenyl]quinolin-8-yl]phosphonic acid Traditional Name: [2-methyl-6-[4-(tetrahydropyran-2-yloxymethyl)phenyl]-8-quinolyl]phosphonic acid Formula: C22H24NO5P MolecularWeight: 413.403421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2C=C1)C3=CC=C(C=C3)COC4CCCCO4)P(=O)(O)O

Isomeric SMILES

CC1=NC2=C(C=C(C=C2C=C1)C3=CC=C(C=C3)COC4CCCCO4)P(=O)(O)O

InChI

InChI=1S/C22H24NO5P/c1-15-5-8-18-12-19(13-20(22(18)23-15)29(24,25)26)17-9-6-16(7-10-17)14-28-21-4-2-3-11-27-21/h5-10,12-13,21H,2-4,11,14H2,1H3,(H2,24,25,26)