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

Systemtic Name: 3-[7-[(3-bromophenyl)methoxy]-4-methyl-2-oxidanylidene-chromen-3-yl]propanoic acid Openeye Name: 3-[7-[(3-bromophenyl)methoxy]-4-methyl-2-oxo-chromen-3-yl]propanoic acid CAS Name: 3-[7-[(3-bromophenyl)methoxy]-4-methyl-2-oxo-1-benzopyran-3-yl]propanoic acid IUPAC Name: 3-[7-[(3-bromophenyl)methoxy]-4-methyl-2-oxochromen-3-yl]propanoic acid Traditional Name: 3-[7-(3-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(=CC=C3)Br)CCC(=O)O

Isomeric SMILES

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

InChI

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