3-(1-adamantyl)-1-(aminomethyl)-7-fluoranyl-3,4-dihydro-1H-isochromene-5,6-diol

Systemtic Name: 3-(1-adamantyl)-1-(aminomethyl)-7-fluoranyl-3,4-dihydro-1H-isochromene-5,6-diol Openeye Name: 3-(1-adamantyl)-1-(aminomethyl)-7-fluoro-isochromane-5,6-diol CAS Name: 3-(1-adamantyl)-1-(aminomethyl)-7-fluoro-3,4-dihydro-1H-2-benzopyran-5,6-diol IUPAC Name: 3-(1-adamantyl)-1-(aminomethyl)-7-fluoro-3,4-dihydro-1H-isochromene-5,6-diol Traditional Name: 3-(1-adamantyl)-1-(aminomethyl)-7-fluoro-isochroman-5,6-diol Formula: C20H26FNO3 MolecularWeight: 347.423743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4CC5=C(C(=C(C=C5C(O4)CN)F)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4CC5=C(C(=C(C=C5C(O4)CN)F)O)O

InChI

InChI=1S/C20H26FNO3/c21-15-4-13-14(18(23)19(15)24)5-17(25-16(13)9-22)20-6-10-1-11(7-20)3-12(2-10)8-20/h4,10-12,16-17,23-24H,1-3,5-9,22H2