2-azanyl-4-[3-(3-azanyl-4-oxidanyl-phenyl)-5,7-diethyl-1-adamantyl]phenol

Systemtic Name: 2-azanyl-4-[3-(3-azanyl-4-oxidanyl-phenyl)-5,7-diethyl-1-adamantyl]phenol Openeye Name: 2-amino-4-[3-(3-amino-4-hydroxy-phenyl)-5,7-diethyl-1-adamantyl]phenol CAS Name: 2-amino-4-[3-(3-amino-4-hydroxyphenyl)-5,7-diethyl-1-adamantyl]phenol IUPAC Name: 2-amino-4-[3-(3-amino-4-hydroxyphenyl)-5,7-diethyl-1-adamantyl]phenol Traditional Name: 2-amino-4-[3-(3-amino-4-hydroxy-phenyl)-5,7-diethyl-1-adamantyl]phenol Formula: C26H34N2O2 MolecularWeight: 406.56036

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC3(CC(C1)(CC(C2)(C3)C4=CC(=C(C=C4)O)N)C5=CC(=C(C=C5)O)N)CC

Isomeric SMILES

CCC12CC3(CC(C1)(CC(C2)(C3)C4=CC(=C(C=C4)O)N)C5=CC(=C(C=C5)O)N)CC

InChI

InChI=1S/C26H34N2O2/c1-3-23-11-24(4-2)14-25(12-23,17-5-7-21(29)19(27)9-17)16-26(13-23,15-24)18-6-8-22(30)20(28)10-18/h5-10,29-30H,3-4,11-16,27-28H2,1-2H3