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

Systemtic Name: (1S,3S)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol Openeye Name: (1S,3S)-3-(1-adamantyl)-1-(aminomethyl)isochromane-5,6-diol CAS Name: (1S,3S)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-2-benzopyran-5,6-diol IUPAC Name: (1S,3S)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol Traditional Name: (1S,3S)-3-(1-adamantyl)-1-(aminomethyl)isochroman-5,6-diol Formula: C20H27NO3 MolecularWeight: 329.43328

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4CC5=C(C=CC(=C5O)O)C(O4)CN

Isomeric SMILES

C1[C@H](O[C@@H](C2=C1C(=C(C=C2)O)O)CN)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H27NO3/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,11-13,17-18,22-23H,3-10,21H2/t11?,12?,13?,17-,18+,20?/m1/s1