3-[(propan-2-ylamino)methyl]-2,4-dihydro-1,5-benzodioxepine-3,6-diol hydrochloride

Systemtic Name: 3-[(propan-2-ylamino)methyl]-2,4-dihydro-1,5-benzodioxepine-3,6-diol hydrochloride Openeye Name: 3-[(isopropylamino)methyl]-2,4-dihydro-1,5-benzodioxepine-3,6-diol hydrochloride CAS Name: 3-[(propan-2-ylamino)methyl]-2,4-dihydro-1,5-benzodioxepin-3,6-diol hydrochloride IUPAC Name: 3-[(propan-2-ylamino)methyl]-2,4-dihydro-1,5-benzodioxepine-3,6-diol hydrochloride Traditional Name: 3-[(isopropylamino)methyl]-2,4-dihydro-1,5-benzodioxepin-3,6-diol hydrochloride Formula: C13H20ClNO4 MolecularWeight: 289.7552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1(COC2=C(C(=CC=C2)O)OC1)O.Cl

Isomeric SMILES

CC(C)NCC1(COC2=C(C(=CC=C2)O)OC1)O.Cl

InChI

InChI=1S/C13H19NO4.ClH/c1-9(2)14-6-13(16)7-17-11-5-3-4-10(15)12(11)18-8-13;/h3-5,9,14-16H,6-8H2,1-2H3;1H