3-[7-[(4-bromophenyl)methoxy]-4-methyl-2-oxidanylidene-chromen-3-yl]propanoic acid

Systemtic Name: 3-[7-[(4-bromophenyl)methoxy]-4-methyl-2-oxidanylidene-chromen-3-yl]propanoic acid Openeye Name: 3-[7-[(4-bromophenyl)methoxy]-4-methyl-2-oxo-chromen-3-yl]propanoic acid CAS Name: 3-[7-[(4-bromophenyl)methoxy]-4-methyl-2-oxo-1-benzopyran-3-yl]propanoic acid IUPAC Name: 3-[7-[(4-bromophenyl)methoxy]-4-methyl-2-oxochromen-3-yl]propanoic acid Traditional Name: 3-[7-(4-bromobenzyl)oxy-2-keto-4-methyl-chromen-3-yl]propionic acid Formula: C20H17BrO5 MolecularWeight: 417.24998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrO5/c1-12-16-7-6-15(25-11-13-2-4-14(21)5-3-13)10-18(16)26-20(24)17(12)8-9-19(22)23/h2-7,10H,8-9,11H2,1H3,(H,22,23)