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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: (7-ethyl-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-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C23H21BrO6 MolecularWeight: 473.31324

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC(=O)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC(=O)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C23H21BrO6/c1-3-14-4-6-17-15(11-23(27)30-21(17)10-14)13-29-22(26)9-7-19(25)18-12-16(24)5-8-20(18)28-2/h4-6,8,10-12H,3,7,9,13H2,1-2H3