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

Systemtic Name: (3R,5S)-N-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]-3,5-dimethyl-adamantan-1-amine Openeye Name: (3R,5S)-N-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl]-3,5-dimethyl-adamantan-1-amine CAS Name: (3R,5S)-N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-3,5-dimethyl-1-adamantanamine IUPAC Name: (3R,5S)-N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-3,5-dimethyladamantan-1-amine Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-[(3R,5S)-3,5-dimethyl-1-adamantyl]amine Formula: C27H34BrNO2 MolecularWeight: 484.46836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)NCC4=CC(=C(C(=C4)Br)OCC5=CC=CC=C5)OC)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)NCC4=CC(=C(C(=C4)Br)OCC5=CC=CC=C5)OC)C

InChI

InChI=1S/C27H34BrNO2/c1-25-11-21-12-26(2,16-25)18-27(13-21,17-25)29-14-20-9-22(28)24(23(10-20)30-3)31-15-19-7-5-4-6-8-19/h4-10,21,29H,11-18H2,1-3H3/t21?,25-,26+,27?