[3,4-diethyl-2-methyl-6-[4-(oxan-2-yloxymethyl)phenyl]quinolin-8-yl]phosphonic acid

Systemtic Name: [3,4-diethyl-2-methyl-6-[4-(oxan-2-yloxymethyl)phenyl]quinolin-8-yl]phosphonic acid Openeye Name: [3,4-diethyl-2-methyl-6-[4-(tetrahydropyran-2-yloxymethyl)phenyl]-8-quinolyl]phosphonic acid CAS Name: [3,4-diethyl-2-methyl-6-[4-(2-oxanyloxymethyl)phenyl]-8-quinolinyl]phosphonic acid IUPAC Name: [3,4-diethyl-2-methyl-6-[4-(oxan-2-yloxymethyl)phenyl]quinolin-8-yl]phosphonic acid Traditional Name: [3,4-diethyl-2-methyl-6-[4-(tetrahydropyran-2-yloxymethyl)phenyl]-8-quinolyl]phosphonic acid Formula: C26H32NO5P MolecularWeight: 469.509741

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC(=CC(=C2N=C1C)P(=O)(O)O)C3=CC=C(C=C3)COC4CCCCO4)CC

Isomeric SMILES

CCC1=C(C2=CC(=CC(=C2N=C1C)P(=O)(O)O)C3=CC=C(C=C3)COC4CCCCO4)CC

InChI

InChI=1S/C26H32NO5P/c1-4-21-17(3)27-26-23(22(21)5-2)14-20(15-24(26)33(28,29)30)19-11-9-18(10-12-19)16-32-25-8-6-7-13-31-25/h9-12,14-15,25H,4-8,13,16H2,1-3H3,(H2,28,29,30)