5-[4-(1-adamantyl)-3-(4-azanyl-3-oxidanyl-phenoxy)phenoxy]-2-azanyl-phenol

Systemtic Name: 5-[4-(1-adamantyl)-3-(4-azanyl-3-oxidanyl-phenoxy)phenoxy]-2-azanyl-phenol Openeye Name: 5-[4-(1-adamantyl)-3-(4-amino-3-hydroxy-phenoxy)phenoxy]-2-amino-phenol CAS Name: 5-[4-(1-adamantyl)-3-(4-amino-3-hydroxyphenoxy)phenoxy]-2-aminophenol IUPAC Name: 5-[4-(1-adamantyl)-3-(4-amino-3-hydroxyphenoxy)phenoxy]-2-aminophenol Traditional Name: 5-[4-(1-adamantyl)-3-(4-amino-3-hydroxy-phenoxy)phenoxy]-2-amino-phenol Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)OC5=CC(=C(C=C5)N)O)OC6=CC(=C(C=C6)N)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)OC5=CC(=C(C=C5)N)O)OC6=CC(=C(C=C6)N)O

InChI

InChI=1S/C28H30N2O4/c29-23-5-2-19(10-25(23)31)33-21-1-4-22(27(12-21)34-20-3-6-24(30)26(32)11-20)28-13-16-7-17(14-28)9-18(8-16)15-28/h1-6,10-12,16-18,31-32H,7-9,13-15,29-30H2