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

Systemtic Name: 3-[[2-(2,3-dihydro-1-benzofuran-5-yl)quinolin-4-yl]amino]propane-1,2-diol hydrochloride Openeye Name: 3-[[2-(2,3-dihydrobenzofuran-5-yl)-4-quinolyl]amino]propane-1,2-diol hydrochloride CAS Name: 3-[[2-(2,3-dihydrobenzofuran-5-yl)-4-quinolinyl]amino]propane-1,2-diol hydrochloride IUPAC Name: 3-[[2-(2,3-dihydro-1-benzofuran-5-yl)quinolin-4-yl]amino]propane-1,2-diol hydrochloride Traditional Name: 3-[(2-coumaran-5-yl-4-quinolyl)amino]propane-1,2-diol hydrochloride Formula: C20H21ClN2O3 MolecularWeight: 372.84534

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)NCC(CO)O.Cl

Isomeric SMILES

C1COC2=C1C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)NCC(CO)O.Cl

InChI

InChI=1S/C20H20N2O3.ClH/c23-12-15(24)11-21-19-10-18(22-17-4-2-1-3-16(17)19)13-5-6-20-14(9-13)7-8-25-20;/h1-6,9-10,15,23-24H,7-8,11-12H2,(H,21,22);1H