(1R)-1-(1-adamantyl)-N-[(3-bromanyl-4,5-diethoxy-phenyl)methyl]ethanamine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC(C)C23CC4CC(C2)CC(C4)C3)Br)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CN[C@H](C)C23CC4CC(C2)CC(C4)C3)Br)OCC

InChI

InChI=1S/C23H34BrNO2/c1-4-26-21-10-19(9-20(24)22(21)27-5-2)14-25-15(3)23-11-16-6-17(12-23)8-18(7-16)13-23/h9-10,15-18,25H,4-8,11-14H2,1-3H3/t15-,16?,17?,18?,23?/m1/s1