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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC23CC4C[C@@](C2)(C[C@](C4)(C3)C)C)Br)OCC5=CC=CC=C5

InChI

InChI=1S/C28H36BrNO2/c1-4-31-24-11-21(10-23(29)25(24)32-16-20-8-6-5-7-9-20)15-30-28-14-22-12-26(2,18-28)17-27(3,13-22)19-28/h5-11,22,30H,4,12-19H2,1-3H3/t22?,26-,27+,28?