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

Systemtic Name: (1R,3S)-3-tert-butyl-1-(propylaminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol Openeye Name: (1R,3S)-3-tert-butyl-1-(propylaminomethyl)isochromane-5,6-diol CAS Name: (1R,3S)-3-tert-butyl-1-(propylaminomethyl)-3,4-dihydro-1H-2-benzopyran-5,6-diol IUPAC Name: (1R,3S)-3-tert-butyl-1-(propylaminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol Traditional Name: (1R,3S)-3-tert-butyl-1-(propylaminomethyl)isochroman-5,6-diol Formula: C17H27NO3 MolecularWeight: 293.40118

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1C2=C(CC(O1)C(C)(C)C)C(=C(C=C2)O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO3/c1-5-8-18-10-14-11-6-7-13(19)16(20)12(11)9-15(21-14)17(2,3)4/h6-7,14-15,18-20H,5,8-10H2,1-4H3/t14-,15-/m0/s1