3-methylbutyl 2-[3-(3,5-dimethylphenoxy)-4-oxidanylidene-chromen-7-yl]oxypropanoate

Systemtic Name: 3-methylbutyl 2-[3-(3,5-dimethylphenoxy)-4-oxidanylidene-chromen-7-yl]oxypropanoate Openeye Name: isopentyl 2-[3-(3,5-dimethylphenoxy)-4-oxo-chromen-7-yl]oxypropanoate CAS Name: 2-[[3-(3,5-dimethylphenoxy)-4-oxo-1-benzopyran-7-yl]oxy]propanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxypropanoate Traditional Name: 2-[3-(3,5-dimethylphenoxy)-4-keto-chromen-7-yl]oxypropionic acid isoamyl ester Formula: C25H28O6 MolecularWeight: 424.48622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(C)C(=O)OCCC(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(C)C(=O)OCCC(C)C)C

InChI

InChI=1S/C25H28O6/c1-15(2)8-9-28-25(27)18(5)30-19-6-7-21-22(13-19)29-14-23(24(21)26)31-20-11-16(3)10-17(4)12-20/h6-7,10-15,18H,8-9H2,1-5H3