(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C22H21BrO7 MolecularWeight: 477.30194

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC)OC

InChI

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