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

Systemtic Name: 2-[2-(1,3-benzoxazol-2-yl)-4-bromanyl-phenoxy]-2-(3-methoxyphenyl)ethanoic acid Openeye Name: 2-[2-(1,3-benzoxazol-2-yl)-4-bromo-phenoxy]-2-(3-methoxyphenyl)acetic acid CAS Name: 2-[2-(1,3-benzoxazol-2-yl)-4-bromophenoxy]-2-(3-methoxyphenyl)acetic acid IUPAC Name: 2-[2-(1,3-benzoxazol-2-yl)-4-bromophenoxy]-2-(3-methoxyphenyl)acetic acid Traditional Name: 2-[2-(1,3-benzoxazol-2-yl)-4-bromo-phenoxy]-2-(3-methoxyphenyl)acetic acid Formula: C22H16BrNO5 MolecularWeight: 454.27014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C(=O)O)OC2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC=CC(=C1)C(C(=O)O)OC2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H16BrNO5/c1-27-15-6-4-5-13(11-15)20(22(25)26)28-18-10-9-14(23)12-16(18)21-24-17-7-2-3-8-19(17)29-21/h2-12,20H,1H3,(H,25,26)