(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C21H19BrO6 MolecularWeight: 447.27596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br)OC

InChI

InChI=1S/C21H19BrO6/c1-25-17-7-3-13(9-19(17)26-2)4-8-20(23)27-12-14-10-21(24)28-18-11-15(22)5-6-16(14)18/h3,5-7,9-11H,4,8,12H2,1-2H3