(2R)-2-[3-(3-methoxyphenoxy)-4-oxidanylidene-chromen-7-yl]oxy-3-methyl-butanoic acid

Systemtic Name: (2R)-2-[3-(3-methoxyphenoxy)-4-oxidanylidene-chromen-7-yl]oxy-3-methyl-butanoic acid Openeye Name: (2R)-2-[3-(3-methoxyphenoxy)-4-oxo-chromen-7-yl]oxy-3-methyl-butanoic acid CAS Name: (2R)-2-[[3-(3-methoxyphenoxy)-4-oxo-1-benzopyran-7-yl]oxy]-3-methylbutanoic acid IUPAC Name: (2R)-2-[3-(3-methoxyphenoxy)-4-oxochromen-7-yl]oxy-3-methylbutanoic acid Traditional Name: (2R)-2-[4-keto-3-(3-methoxyphenoxy)chromen-7-yl]oxy-3-methyl-butyric acid Formula: C21H20O7 MolecularWeight: 384.3793

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)[C@H](C(=O)O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H20O7/c1-12(2)20(21(23)24)28-15-7-8-16-17(10-15)26-11-18(19(16)22)27-14-6-4-5-13(9-14)25-3/h4-12,20H,1-3H3,(H,23,24)/t20-/m1/s1