3-(3,5-dimethylphenoxy)-7-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-oxidanyl-propoxy]chromen-4-one

Systemtic Name: 3-(3,5-dimethylphenoxy)-7-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-oxidanyl-propoxy]chromen-4-one Openeye Name: 3-(3,5-dimethylphenoxy)-7-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxy-propoxy]chromen-4-one CAS Name: 3-(3,5-dimethylphenoxy)-7-[(2R)-3-(3,5-dimethyl-1-pyrazolyl)-2-hydroxypropoxy]-1-benzopyran-4-one IUPAC Name: 3-(3,5-dimethylphenoxy)-7-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]chromen-4-one Traditional Name: 3-(3,5-dimethylphenoxy)-7-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxy-propoxy]chromone Formula: C25H26N2O5 MolecularWeight: 434.48434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC(CN4C(=CC(=N4)C)C)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC[C@@H](CN4C(=CC(=N4)C)C)O)C

InChI

InChI=1S/C25H26N2O5/c1-15-7-16(2)9-21(8-15)32-24-14-31-23-11-20(5-6-22(23)25(24)29)30-13-19(28)12-27-18(4)10-17(3)26-27/h5-11,14,19,28H,12-13H2,1-4H3/t19-/m1/s1