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

Systemtic Name: [6-[4-(oxan-2-yloxymethyl)phenyl]-2-(phenylcarbonyl)quinolin-8-yl]phosphonic acid Openeye Name: [2-benzoyl-6-[4-(tetrahydropyran-2-yloxymethyl)phenyl]-8-quinolyl]phosphonic acid CAS Name: [2-benzoyl-6-[4-(2-oxanyloxymethyl)phenyl]-8-quinolinyl]phosphonic acid IUPAC Name: [2-benzoyl-6-[4-(oxan-2-yloxymethyl)phenyl]quinolin-8-yl]phosphonic acid Traditional Name: [2-benzoyl-6-[4-(tetrahydropyran-2-yloxymethyl)phenyl]-8-quinolyl]phosphonic acid Formula: C28H26NO6P MolecularWeight: 503.482901

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC2=CC=C(C=C2)C3=CC(=C4C(=C3)C=CC(=N4)C(=O)C5=CC=CC=C5)P(=O)(O)O

Isomeric SMILES

C1CCOC(C1)OCC2=CC=C(C=C2)C3=CC(=C4C(=C3)C=CC(=N4)C(=O)C5=CC=CC=C5)P(=O)(O)O

InChI

InChI=1S/C28H26NO6P/c30-28(21-6-2-1-3-7-21)24-14-13-22-16-23(17-25(27(22)29-24)36(31,32)33)20-11-9-19(10-12-20)18-35-26-8-4-5-15-34-26/h1-3,6-7,9-14,16-17,26H,4-5,8,15,18H2,(H2,31,32,33)