2-[2-(1,3-benzoxazol-2-yl)-4-bromanyl-phenoxy]-2-(4-chlorophenyl)ethanoic acid

Systemtic Name: 2-[2-(1,3-benzoxazol-2-yl)-4-bromanyl-phenoxy]-2-(4-chlorophenyl)ethanoic acid Openeye Name: 2-[2-(1,3-benzoxazol-2-yl)-4-bromo-phenoxy]-2-(4-chlorophenyl)acetic acid CAS Name: 2-[2-(1,3-benzoxazol-2-yl)-4-bromophenoxy]-2-(4-chlorophenyl)acetic acid IUPAC Name: 2-[2-(1,3-benzoxazol-2-yl)-4-bromophenoxy]-2-(4-chlorophenyl)acetic acid Traditional Name: 2-[2-(1,3-benzoxazol-2-yl)-4-bromo-phenoxy]-2-(4-chlorophenyl)acetic acid Formula: C21H13BrClNO4 MolecularWeight: 458.68922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C3=C(C=CC(=C3)Br)OC(C4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C3=C(C=CC(=C3)Br)OC(C4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C21H13BrClNO4/c22-13-7-10-17(27-19(21(25)26)12-5-8-14(23)9-6-12)15(11-13)20-24-16-3-1-2-4-18(16)28-20/h1-11,19H,(H,25,26)