(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C22H21BrO7 MolecularWeight: 477.30194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br

InChI

InChI=1S/C22H21BrO7/c1-26-18-8-13(9-19(27-2)22(18)28-3)4-7-20(24)29-12-14-10-21(25)30-17-11-15(23)5-6-16(14)17/h5-6,8-11H,4,7,12H2,1-3H3