3-(pyridin-3-ylmethyl)-6-quinolin-2-yloxy-3,4-dihydro-2H-chromen-4-ol dihydrochloride

Systemtic Name: 3-(pyridin-3-ylmethyl)-6-quinolin-2-yloxy-3,4-dihydro-2H-chromen-4-ol dihydrochloride Openeye Name: 3-(3-pyridylmethyl)-6-(2-quinolyloxy)chroman-4-ol dihydrochloride CAS Name: 3-(3-pyridinylmethyl)-6-(2-quinolinyloxy)-3,4-dihydro-2H-1-benzopyran-4-ol dihydrochloride IUPAC Name: 3-(pyridin-3-ylmethyl)-6-quinolin-2-yloxy-3,4-dihydro-2H-chromen-4-ol dihydrochloride Traditional Name: 3-(3-pyridylmethyl)-6-(2-quinolyloxy)chroman-4-ol dihydrochloride Formula: C24H22Cl2N2O3 MolecularWeight: 457.34908

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C2=C(O1)C=CC(=C2)OC3=NC4=CC=CC=C4C=C3)O)CC5=CN=CC=C5.Cl.Cl

Isomeric SMILES

C1C(C(C2=C(O1)C=CC(=C2)OC3=NC4=CC=CC=C4C=C3)O)CC5=CN=CC=C5.Cl.Cl

InChI

InChI=1S/C24H20N2O3.2ClH/c27-24-18(12-16-4-3-11-25-14-16)15-28-22-9-8-19(13-20(22)24)29-23-10-7-17-5-1-2-6-21(17)26-23;;/h1-11,13-14,18,24,27H,12,15H2;2*1H