2-fluoranyl-4-[(1R)-1-oxidanyl-2-[2-[(3R)-3-(phenylmethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethylamino]ethyl]phenol

Systemtic Name: 2-fluoranyl-4-[(1R)-1-oxidanyl-2-[2-[(3R)-3-(phenylmethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethylamino]ethyl]phenol Openeye Name: 4-[(1R)-2-[2-[(3R)-3-(benzyloxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethylamino]-1-hydroxy-ethyl]-2-fluoro-phenol CAS Name: 2-fluoro-4-[(1R)-1-hydroxy-2-[2-[(3R)-3-(phenylmethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethylamino]ethyl]phenol IUPAC Name: 2-fluoro-4-[(1R)-1-hydroxy-2-[2-[(3R)-3-(phenylmethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethylamino]ethyl]phenol Traditional Name: 4-[(1R)-2-[2-[(3R)-3-(benzoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethylamino]-1-hydroxy-ethyl]-2-fluoro-phenol Formula: C26H28FNO5 MolecularWeight: 453.502623

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(O1)C=CC(=C2)CCNCC(C3=CC(=C(C=C3)O)F)O)COCC4=CC=CC=C4

Isomeric SMILES

C1[C@H](OC2=C(O1)C=CC(=C2)CCNC[C@@H](C3=CC(=C(C=C3)O)F)O)COCC4=CC=CC=C4

InChI

InChI=1S/C26H28FNO5/c27-22-13-20(7-8-23(22)29)24(30)14-28-11-10-18-6-9-25-26(12-18)33-21(17-32-25)16-31-15-19-4-2-1-3-5-19/h1-9,12-13,21,24,28-30H,10-11,14-17H2/t21-,24+/m1/s1