(3S,5R)-N-[(3-bromanyl-4,5-diethoxy-phenyl)methyl]-3,5-dimethyl-adamantan-1-amine

Systemtic Name: (3S,5R)-N-[(3-bromanyl-4,5-diethoxy-phenyl)methyl]-3,5-dimethyl-adamantan-1-amine Openeye Name: (3S,5R)-N-[(3-bromo-4,5-diethoxy-phenyl)methyl]-3,5-dimethyl-adamantan-1-amine CAS Name: (3S,5R)-N-[(3-bromo-4,5-diethoxyphenyl)methyl]-3,5-dimethyl-1-adamantanamine IUPAC Name: (3S,5R)-N-[(3-bromo-4,5-diethoxyphenyl)methyl]-3,5-dimethyladamantan-1-amine Traditional Name: (3-bromo-4,5-diethoxy-benzyl)-[(3S,5R)-3,5-dimethyl-1-adamantyl]amine Formula: C23H34BrNO2 MolecularWeight: 436.42556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC23CC4CC(C2)(CC(C4)(C3)C)C)Br)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC23CC4C[C@@](C2)(C[C@](C4)(C3)C)C)Br)OCC

InChI

InChI=1S/C23H34BrNO2/c1-5-26-19-8-16(7-18(24)20(19)27-6-2)12-25-23-11-17-9-21(3,14-23)13-22(4,10-17)15-23/h7-8,17,25H,5-6,9-15H2,1-4H3/t17?,21-,22+,23?