2-[4-[(1-adamantylamino)methyl]-5-bromanyl-2-ethoxy-phenoxy]ethanol

Systemtic Name: 2-[4-[(1-adamantylamino)methyl]-5-bromanyl-2-ethoxy-phenoxy]ethanol Openeye Name: 2-[4-[(1-adamantylamino)methyl]-5-bromo-2-ethoxy-phenoxy]ethanol CAS Name: 2-[4-[(1-adamantylamino)methyl]-5-bromo-2-ethoxyphenoxy]ethanol IUPAC Name: 2-[4-[(1-adamantylamino)methyl]-5-bromo-2-ethoxyphenoxy]ethanol Traditional Name: 2-[4-[(1-adamantylamino)methyl]-5-bromo-2-ethoxy-phenoxy]ethanol Formula: C21H30BrNO3 MolecularWeight: 424.3718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30BrNO3/c1-2-25-19-8-17(18(22)9-20(19)26-4-3-24)13-23-21-10-14-5-15(11-21)7-16(6-14)12-21/h8-9,14-16,23-24H,2-7,10-13H2,1H3