(3R,5S)-1-(4-bromophenyl)-4-methoxy-adamantane

Systemtic Name: (3R,5S)-1-(4-bromophenyl)-4-methoxy-adamantane Openeye Name: (3R,5S)-1-(4-bromophenyl)-4-methoxy-adamantane CAS Name: (3R,5S)-1-(4-bromophenyl)-4-methoxyadamantane IUPAC Name: (3R,5S)-1-(4-bromophenyl)-4-methoxyadamantane Traditional Name: (3R,5S)-1-(4-bromophenyl)-4-methoxy-adamantane Formula: C17H21BrO MolecularWeight: 321.25204

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Descriptors Computed from Structure

Canonical SMILES:

COC1C2CC3CC1CC(C3)(C2)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1[C@@H]2CC3C[C@H]1CC(C2)(C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C17H21BrO/c1-19-16-12-6-11-7-13(16)10-17(8-11,9-12)14-2-4-15(18)5-3-14/h2-5,11-13,16H,6-10H2,1H3/t11?,12-,13+,16?,17?