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

Systemtic Name: 2-(hydroxymethyl)-4-[(1R)-1-oxidanyl-2-[2-[2-(phenylmethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethylamino]ethyl]phenol Openeye Name: 4-[(1R)-2-[2-[2-(benzyloxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethylamino]-1-hydroxy-ethyl]-2-(hydroxymethyl)phenol CAS Name: 2-(hydroxymethyl)-4-[(1R)-1-hydroxy-2-[2-[2-(phenylmethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethylamino]ethyl]phenol IUPAC Name: 2-(hydroxymethyl)-4-[(1R)-1-hydroxy-2-[2-[2-(phenylmethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethylamino]ethyl]phenol Traditional Name: 4-[(1R)-2-[2-[2-(benzoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethylamino]-1-hydroxy-ethyl]-2-methylol-phenol Formula: C27H31NO6 MolecularWeight: 465.53814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C(OC2=C(O1)C=C(C=C2)CCNC[C@@H](C3=CC(=C(C=C3)O)CO)O)COCC4=CC=CC=C4

InChI

InChI=1S/C27H31NO6/c29-15-22-13-21(7-8-24(22)30)25(31)14-28-11-10-19-6-9-26-27(12-19)33-18-23(34-26)17-32-16-20-4-2-1-3-5-20/h1-9,12-13,23,25,28-31H,10-11,14-18H2/t23?,25-/m0/s1