(1R,3S)-3-tert-butyl-1-[(prop-2-enylamino)methyl]-3,4-dihydro-1H-isochromene-5,6-diol

Systemtic Name: (1R,3S)-3-tert-butyl-1-[(prop-2-enylamino)methyl]-3,4-dihydro-1H-isochromene-5,6-diol Openeye Name: (1R,3S)-1-[(allylamino)methyl]-3-tert-butyl-isochromane-5,6-diol CAS Name: (1R,3S)-3-tert-butyl-1-[(prop-2-enylamino)methyl]-3,4-dihydro-1H-2-benzopyran-5,6-diol IUPAC Name: (1R,3S)-3-tert-butyl-1-[(prop-2-enylamino)methyl]-3,4-dihydro-1H-isochromene-5,6-diol Traditional Name: (1R,3S)-1-[(allylamino)methyl]-3-tert-butyl-isochroman-5,6-diol Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CC2=C(C=CC(=C2O)O)C(O1)CNCC=C

Isomeric SMILES

CC(C)(C)[C@@H]1CC2=C(C=CC(=C2O)O)[C@@H](O1)CNCC=C

InChI

InChI=1S/C17H25NO3/c1-5-8-18-10-14-11-6-7-13(19)16(20)12(11)9-15(21-14)17(2,3)4/h5-7,14-15,18-20H,1,8-10H2,2-4H3/t14-,15-/m0/s1