(1R,3S)-3-tert-butyl-1-(ethylaminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol

Systemtic Name: (1R,3S)-3-tert-butyl-1-(ethylaminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol Openeye Name: (1R,3S)-3-tert-butyl-1-(ethylaminomethyl)isochromane-5,6-diol CAS Name: (1R,3S)-3-tert-butyl-1-(ethylaminomethyl)-3,4-dihydro-1H-2-benzopyran-5,6-diol IUPAC Name: (1R,3S)-3-tert-butyl-1-(ethylaminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol Traditional Name: (1R,3S)-3-tert-butyl-1-(ethylaminomethyl)isochroman-5,6-diol Formula: C16H25NO3 MolecularWeight: 279.3746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNCC1C2=C(CC(O1)C(C)(C)C)C(=C(C=C2)O)O

Isomeric SMILES

CCNC[C@H]1C2=C(C[C@H](O1)C(C)(C)C)C(=C(C=C2)O)O

InChI

InChI=1S/C16H25NO3/c1-5-17-9-13-10-6-7-12(18)15(19)11(10)8-14(20-13)16(2,3)4/h6-7,13-14,17-19H,5,8-9H2,1-4H3/t13-,14-/m0/s1