(4-bromophenyl)methyl 3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoate

Systemtic Name: (4-bromophenyl)methyl 3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoate Openeye Name: (4-bromophenyl)methyl 3-(7-methoxy-4-methyl-2-oxo-chromen-3-yl)propanoate CAS Name: 3-(7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)propanoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoate Traditional Name: 3-(2-keto-7-methoxy-4-methyl-chromen-3-yl)propionic acid (4-bromobenzyl) ester Formula: C21H19BrO5 MolecularWeight: 431.27656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)OCC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)OCC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H19BrO5/c1-13-17-8-7-16(25-2)11-19(17)27-21(24)18(13)9-10-20(23)26-12-14-3-5-15(22)6-4-14/h3-8,11H,9-10,12H2,1-2H3