[6-[4-(oxan-2-yloxymethyl)phenyl]-2-(1-oxidanyl-1-phenyl-butyl)quinolin-8-yl]phosphonic acid

Systemtic Name: [6-[4-(oxan-2-yloxymethyl)phenyl]-2-(1-oxidanyl-1-phenyl-butyl)quinolin-8-yl]phosphonic acid Openeye Name: [2-(1-hydroxy-1-phenyl-butyl)-6-[4-(tetrahydropyran-2-yloxymethyl)phenyl]-8-quinolyl]phosphonic acid CAS Name: [2-(1-hydroxy-1-phenylbutyl)-6-[4-(2-oxanyloxymethyl)phenyl]-8-quinolinyl]phosphonic acid IUPAC Name: [2-(1-hydroxy-1-phenylbutyl)-6-[4-(oxan-2-yloxymethyl)phenyl]quinolin-8-yl]phosphonic acid Traditional Name: [2-(1-hydroxy-1-phenyl-butyl)-6-[4-(tetrahydropyran-2-yloxymethyl)phenyl]-8-quinolyl]phosphonic acid Formula: C31H34NO6P MolecularWeight: 547.578521

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)(C2=NC3=C(C=C(C=C3C=C2)C4=CC=C(C=C4)COC5CCCCO5)P(=O)(O)O)O

Isomeric SMILES

CCCC(C1=CC=CC=C1)(C2=NC3=C(C=C(C=C3C=C2)C4=CC=C(C=C4)COC5CCCCO5)P(=O)(O)O)O

InChI

InChI=1S/C31H34NO6P/c1-2-17-31(33,26-8-4-3-5-9-26)28-16-15-24-19-25(20-27(30(24)32-28)39(34,35)36)23-13-11-22(12-14-23)21-38-29-10-6-7-18-37-29/h3-5,8-9,11-16,19-20,29,33H,2,6-7,10,17-18,21H2,1H3,(H2,34,35,36)