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

Systemtic Name: (1R)-1-(1-adamantyl)-N-[(3-bromanyl-4-phenylmethoxy-phenyl)methyl]ethanamine Openeye Name: (1R)-1-(1-adamantyl)-N-[(4-benzyloxy-3-bromo-phenyl)methyl]ethanamine CAS Name: (1R)-1-(1-adamantyl)-N-[(3-bromo-4-phenylmethoxyphenyl)methyl]ethanamine IUPAC Name: (1R)-1-(1-adamantyl)-N-[(3-bromo-4-phenylmethoxyphenyl)methyl]ethanamine Traditional Name: [(1R)-1-(1-adamantyl)ethyl]-(4-benzoxy-3-bromo-benzyl)amine Formula: C26H32BrNO MolecularWeight: 454.44238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NCC4=CC(=C(C=C4)OCC5=CC=CC=C5)Br

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NCC4=CC(=C(C=C4)OCC5=CC=CC=C5)Br

InChI

InChI=1S/C26H32BrNO/c1-18(26-13-21-9-22(14-26)11-23(10-21)15-26)28-16-20-7-8-25(24(27)12-20)29-17-19-5-3-2-4-6-19/h2-8,12,18,21-23,28H,9-11,13-17H2,1H3/t18-,21?,22?,23?,26?/m1/s1