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

Systemtic Name: (1R,3S)-3-(1-adamantyl)-1-(dimethylaminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol Openeye Name: (1R,3S)-3-(1-adamantyl)-1-(dimethylaminomethyl)isochromane-5,6-diol CAS Name: (1R,3S)-3-(1-adamantyl)-1-(dimethylaminomethyl)-3,4-dihydro-1H-2-benzopyran-5,6-diol IUPAC Name: (1R,3S)-3-(1-adamantyl)-1-(dimethylaminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol Traditional Name: (1R,3S)-3-(1-adamantyl)-1-(dimethylaminomethyl)isochroman-5,6-diol Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1C2=C(CC(O1)C34CC5CC(C3)CC(C5)C4)C(=C(C=C2)O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO3/c1-23(2)12-19-16-3-4-18(24)21(25)17(16)8-20(26-19)22-9-13-5-14(10-22)7-15(6-13)11-22/h3-4,13-15,19-20,24-25H,5-12H2,1-2H3/t13?,14?,15?,19-,20-,22?/m0/s1