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

Systemtic Name: (1R)-1-(1-adamantyl)-N-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]ethanamine Openeye Name: (1R)-1-(1-adamantyl)-N-[(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl]ethanamine CAS Name: (1R)-1-(1-adamantyl)-N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]ethanamine IUPAC Name: (1R)-1-(1-adamantyl)-N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]ethanamine Traditional Name: [(1R)-1-(1-adamantyl)ethyl]-(4-benzoxy-3-bromo-5-ethoxy-benzyl)amine Formula: C28H36BrNO2 MolecularWeight: 498.49494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC(C)C23CC4CC(C2)CC(C4)C3)Br)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CN[C@H](C)C23CC4CC(C2)CC(C4)C3)Br)OCC5=CC=CC=C5

InChI

InChI=1S/C28H36BrNO2/c1-3-31-26-13-24(12-25(29)27(26)32-18-20-7-5-4-6-8-20)17-30-19(2)28-14-21-9-22(15-28)11-23(10-21)16-28/h4-8,12-13,19,21-23,30H,3,9-11,14-18H2,1-2H3/t19-,21?,22?,23?,28?/m1/s1