2-(2,3-dihydro-1-benzofuran-5-yl)-1-(quinolin-4-ylamino)propane-1,2-diol hydrochloride

Systemtic Name: 2-(2,3-dihydro-1-benzofuran-5-yl)-1-(quinolin-4-ylamino)propane-1,2-diol hydrochloride Openeye Name: 2-(2,3-dihydrobenzofuran-5-yl)-1-(4-quinolylamino)propane-1,2-diol hydrochloride CAS Name: 2-(2,3-dihydrobenzofuran-5-yl)-1-(4-quinolinylamino)propane-1,2-diol hydrochloride IUPAC Name: 2-(2,3-dihydro-1-benzofuran-5-yl)-1-(quinolin-4-ylamino)propane-1,2-diol hydrochloride Traditional Name: 2-coumaran-5-yl-1-(4-quinolylamino)propane-1,2-diol hydrochloride Formula: C20H21ClN2O3 MolecularWeight: 372.84534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCC2)(C(NC3=CC=NC4=CC=CC=C43)O)O.Cl

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCC2)(C(NC3=CC=NC4=CC=CC=C43)O)O.Cl

InChI

InChI=1S/C20H20N2O3.ClH/c1-20(24,14-6-7-18-13(12-14)9-11-25-18)19(23)22-17-8-10-21-16-5-3-2-4-15(16)17;/h2-8,10,12,19,23-24H,9,11H2,1H3,(H,21,22);1H