1-(aminomethyl)-8-(2-bromanyl-1-adamantyl)-3,4-dihydro-1H-isochromene-5,6-diol

Systemtic Name: 1-(aminomethyl)-8-(2-bromanyl-1-adamantyl)-3,4-dihydro-1H-isochromene-5,6-diol Openeye Name: 1-(aminomethyl)-8-(2-bromo-1-adamantyl)isochromane-5,6-diol CAS Name: 1-(aminomethyl)-8-(2-bromo-1-adamantyl)-3,4-dihydro-1H-2-benzopyran-5,6-diol IUPAC Name: 1-(aminomethyl)-8-(2-bromo-1-adamantyl)-3,4-dihydro-1H-isochromene-5,6-diol Traditional Name: 1-(aminomethyl)-8-(2-bromo-1-adamantyl)isochroman-5,6-diol Formula: C20H26BrNO3 MolecularWeight: 408.32934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=C1C(=C(C=C2C34CC5CC(C3)CC(C5)C4Br)O)O)CN

Isomeric SMILES

C1COC(C2=C1C(=C(C=C2C34CC5CC(C3)CC(C5)C4Br)O)O)CN

InChI

InChI=1S/C20H26BrNO3/c21-19-12-4-10-3-11(5-12)8-20(19,7-10)14-6-15(23)18(24)13-1-2-25-16(9-22)17(13)14/h6,10-12,16,19,23-24H,1-5,7-9,22H2