(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(3-bromanylphenoxy)butanoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(3-bromanylphenoxy)butanoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H19BrO5 MolecularWeight: 431.27656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCCOC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H19BrO5/c1-14-7-8-18-15(11-21(24)27-19(18)10-14)13-26-20(23)6-3-9-25-17-5-2-4-16(22)12-17/h2,4-5,7-8,10-12H,3,6,9,13H2,1H3