2-[2-(1,3-benzoxazol-2-yl)-4-chloranyl-phenoxy]-2-(4-tert-butylphenyl)ethanoic acid

Systemtic Name: 2-[2-(1,3-benzoxazol-2-yl)-4-chloranyl-phenoxy]-2-(4-tert-butylphenyl)ethanoic acid Openeye Name: 2-[2-(1,3-benzoxazol-2-yl)-4-chloro-phenoxy]-2-(4-tert-butylphenyl)acetic acid CAS Name: 2-[2-(1,3-benzoxazol-2-yl)-4-chlorophenoxy]-2-(4-tert-butylphenyl)acetic acid IUPAC Name: 2-[2-(1,3-benzoxazol-2-yl)-4-chlorophenoxy]-2-(4-tert-butylphenyl)acetic acid Traditional Name: 2-[2-(1,3-benzoxazol-2-yl)-4-chloro-phenoxy]-2-(4-tert-butylphenyl)acetic acid Formula: C25H22ClNO4 MolecularWeight: 435.89948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClNO4/c1-25(2,3)16-10-8-15(9-11-16)22(24(28)29)30-20-13-12-17(26)14-18(20)23-27-19-6-4-5-7-21(19)31-23/h4-14,22H,1-3H3,(H,28,29)