N-[(1R)-1-(1-adamantyl)ethyl]-2-[4-bromanyl-2-(hydroxymethyl)phenoxy]ethanamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[4-bromanyl-2-(hydroxymethyl)phenoxy]ethanamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[4-bromo-2-(hydroxymethyl)phenoxy]acetamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[4-bromo-2-(hydroxymethyl)phenoxy]acetamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[4-bromo-2-(hydroxymethyl)phenoxy]acetamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-bromo-2-methylol-phenoxy)acetamide Formula: C21H28BrNO3 MolecularWeight: 422.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC4=C(C=C(C=C4)Br)CO

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)COC4=C(C=C(C=C4)Br)CO

InChI

InChI=1S/C21H28BrNO3/c1-13(21-8-14-4-15(9-21)6-16(5-14)10-21)23-20(25)12-26-19-3-2-18(22)7-17(19)11-24/h2-3,7,13-16,24H,4-6,8-12H2,1H3,(H,23,25)/t13-,14?,15?,16?,21?/m1/s1