1-(1-adamantylamino)-3-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)phenoxy]propan-2-ol

Systemtic Name: 1-(1-adamantylamino)-3-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)phenoxy]propan-2-ol Openeye Name: 1-(1-adamantylamino)-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)phenoxy]propan-2-ol CAS Name: 1-(1-adamantylamino)-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)phenoxy]-2-propanol IUPAC Name: 1-(1-adamantylamino)-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)phenoxy]propan-2-ol Traditional Name: 1-(1-adamantylamino)-3-[4-(6-fluoroindoxazen-3-yl)phenoxy]propan-2-ol Formula: C26H29FN2O3 MolecularWeight: 436.518463

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NCC(COC4=CC=C(C=C4)C5=NOC6=C5C=CC(=C6)F)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NCC(COC4=CC=C(C=C4)C5=NOC6=C5C=CC(=C6)F)O

InChI

InChI=1S/C26H29FN2O3/c27-20-3-6-23-24(10-20)32-29-25(23)19-1-4-22(5-2-19)31-15-21(30)14-28-26-11-16-7-17(12-26)9-18(8-16)13-26/h1-6,10,16-18,21,28,30H,7-9,11-15H2