(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H19BrO6 MolecularWeight: 459.28666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC(=O)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC(=O)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C22H19BrO6/c1-13-3-5-16-14(10-22(26)29-20(16)9-13)12-28-21(25)8-6-18(24)17-11-15(23)4-7-19(17)27-2/h3-5,7,9-11H,6,8,12H2,1-2H3