1-methyl-1-pyridin-3-yl-3,4-dihydroisochromen-6-ol ethanoate

Systemtic Name: 1-methyl-1-pyridin-3-yl-3,4-dihydroisochromen-6-ol ethanoate Openeye Name: 1-methyl-1-(3-pyridyl)isochroman-6-ol acetate CAS Name: 1-methyl-1-(3-pyridinyl)-3,4-dihydro-1H-2-benzopyran-6-ol acetate IUPAC Name: 1-methyl-1-pyridin-3-yl-3,4-dihydroisochromen-6-ol acetate Traditional Name: 1-methyl-1-(3-pyridyl)isochroman-6-ol acetate Formula: C17H18NO4- MolecularWeight: 300.32912

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC1(C2=C(CCO1)C=C(C=C2)O)C3=CN=CC=C3

Isomeric SMILES

CC(=O)[O-].CC1(C2=C(CCO1)C=C(C=C2)O)C3=CN=CC=C3

InChI

InChI=1S/C15H15NO2.C2H4O2/c1-15(12-3-2-7-16-10-12)14-5-4-13(17)9-11(14)6-8-18-15;1-2(3)4/h2-5,7,9-10,17H,6,8H2,1H3;1H3,(H,3,4)/p-1