3-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]-2,2-dimethyl-adamantan-1-amine hydrochloride

Systemtic Name: 3-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]-2,2-dimethyl-adamantan-1-amine hydrochloride Openeye Name: 3-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]-2,2-dimethyl-adamantan-1-amine hydrochloride CAS Name: 3-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]-2,2-dimethyl-1-adamantanamine hydrochloride IUPAC Name: 3-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]-2,2-dimethyladamantan-1-amine hydrochloride Traditional Name: [3-[4-(1,3-benzoxazol-2-yl)benzyl]oxy-2,2-dimethyl-1-adamantyl]amine hydrochloride Formula: C26H31ClN2O2 MolecularWeight: 438.98954

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2(CC3CC(C2)CC1(C3)OCC4=CC=C(C=C4)C5=NC6=CC=CC=C6O5)N)C.Cl

Isomeric SMILES

CC1(C2(CC3CC(C2)CC1(C3)OCC4=CC=C(C=C4)C5=NC6=CC=CC=C6O5)N)C.Cl

InChI

InChI=1S/C26H30N2O2.ClH/c1-24(2)25(27)12-18-11-19(13-25)15-26(24,14-18)29-16-17-7-9-20(10-8-17)23-28-21-5-3-4-6-22(21)30-23;/h3-10,18-19H,11-16,27H2,1-2H3;1H