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

Systemtic Name: [2,3,4-triethyl-6-[4-(oxan-2-yloxymethyl)phenyl]quinolin-8-yl]phosphonic acid Openeye Name: [2,3,4-triethyl-6-[4-(tetrahydropyran-2-yloxymethyl)phenyl]-8-quinolyl]phosphonic acid CAS Name: [2,3,4-triethyl-6-[4-(2-oxanyloxymethyl)phenyl]-8-quinolinyl]phosphonic acid IUPAC Name: [2,3,4-triethyl-6-[4-(oxan-2-yloxymethyl)phenyl]quinolin-8-yl]phosphonic acid Traditional Name: [2,3,4-triethyl-6-[4-(tetrahydropyran-2-yloxymethyl)phenyl]-8-quinolyl]phosphonic acid Formula: C27H34NO5P MolecularWeight: 483.536321

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=C(C=C(C=C12)C3=CC=C(C=C3)COC4CCCCO4)P(=O)(O)O)CC)CC

Isomeric SMILES

CCC1=C(C(=NC2=C(C=C(C=C12)C3=CC=C(C=C3)COC4CCCCO4)P(=O)(O)O)CC)CC

InChI

InChI=1S/C27H34NO5P/c1-4-21-22(5-2)24(6-3)28-27-23(21)15-20(16-25(27)34(29,30)31)19-12-10-18(11-13-19)17-33-26-9-7-8-14-32-26/h10-13,15-16,26H,4-9,14,17H2,1-3H3,(H2,29,30,31)