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

Systemtic Name: (1S,3R)-3-(1-adamantyl)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol Openeye Name: (1S,3R)-3-(1-adamantyl)-1-(methylaminomethyl)isochromane-5,6-diol CAS Name: (1S,3R)-3-(1-adamantyl)-1-(methylaminomethyl)-3,4-dihydro-1H-2-benzopyran-5,6-diol IUPAC Name: (1S,3R)-3-(1-adamantyl)-1-(methylaminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol Traditional Name: (1S,3R)-3-(1-adamantyl)-1-(methylaminomethyl)isochroman-5,6-diol Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1C2=C(CC(O1)C34CC5CC(C3)CC(C5)C4)C(=C(C=C2)O)O

Isomeric SMILES

CNC[C@@H]1C2=C(C[C@@H](O1)C34CC5CC(C3)CC(C5)C4)C(=C(C=C2)O)O

InChI

InChI=1S/C21H29NO3/c1-22-11-18-15-2-3-17(23)20(24)16(15)7-19(25-18)21-8-12-4-13(9-21)6-14(5-12)10-21/h2-3,12-14,18-19,22-24H,4-11H2,1H3/t12?,13?,14?,18-,19-,21?/m1/s1