N-[[3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methyl]-3,5-dimethyl-adamantan-1-amine

Systemtic Name: N-[[3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methyl]-3,5-dimethyl-adamantan-1-amine Openeye Name: N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methyl]-3,5-dimethyl-adamantan-1-amine CAS Name: N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3,5-dimethyl-1-adamantanamine IUPAC Name: N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine Traditional Name: [3-bromo-4-(2,4-dichlorobenzyl)oxy-5-ethoxy-benzyl]-(3,5-dimethyl-1-adamantyl)amine Formula: C28H34BrCl2NO2 MolecularWeight: 567.38506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC23CC4CC(C2)(CC(C4)(C3)C)C)Br)OCC5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC23CC4CC(C2)(CC(C4)(C3)C)C)Br)OCC5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C28H34BrCl2NO2/c1-4-33-24-8-18(7-22(29)25(24)34-14-20-5-6-21(30)9-23(20)31)13-32-28-12-19-10-26(2,16-28)15-27(3,11-19)17-28/h5-9,19,32H,4,10-17H2,1-3H3