3-(3-methylphenoxy)-7-[(2S)-2-oxidanyl-3-(3,4,5-trimethylpyrazol-1-yl)propoxy]chromen-4-one

Systemtic Name: 3-(3-methylphenoxy)-7-[(2S)-2-oxidanyl-3-(3,4,5-trimethylpyrazol-1-yl)propoxy]chromen-4-one Openeye Name: 7-[(2S)-2-hydroxy-3-(3,4,5-trimethylpyrazol-1-yl)propoxy]-3-(3-methylphenoxy)chromen-4-one CAS Name: 7-[(2S)-2-hydroxy-3-(3,4,5-trimethyl-1-pyrazolyl)propoxy]-3-(3-methylphenoxy)-1-benzopyran-4-one IUPAC Name: 7-[(2S)-2-hydroxy-3-(3,4,5-trimethylpyrazol-1-yl)propoxy]-3-(3-methylphenoxy)chromen-4-one Traditional Name: 7-[(2S)-2-hydroxy-3-(3,4,5-trimethylpyrazol-1-yl)propoxy]-3-(3-methylphenoxy)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(=C(C(=N4)C)C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O5/c1-15-6-5-7-21(10-15)32-24-14-31-23-11-20(8-9-22(23)25(24)29)30-13-19(28)12-27-18(4)16(2)17(3)26-27/h5-11,14,19,28H,12-13H2,1-4H3/t19-/m0/s1