4-[2-[4-(5-chloranyl-2-phenylmethoxy-phenyl)-1,3-thiazol-2-yl]propan-2-yl]benzoic acid

Systemtic Name: 4-[2-[4-(5-chloranyl-2-phenylmethoxy-phenyl)-1,3-thiazol-2-yl]propan-2-yl]benzoic acid Openeye Name: 4-[1-[4-(2-benzyloxy-5-chloro-phenyl)thiazol-2-yl]-1-methyl-ethyl]benzoic acid CAS Name: 4-[2-[4-(5-chloro-2-phenylmethoxyphenyl)-2-thiazolyl]propan-2-yl]benzoic acid IUPAC Name: 4-[2-[4-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]propan-2-yl]benzoic acid Traditional Name: 4-[1-[4-(2-benzoxy-5-chloro-phenyl)thiazol-2-yl]-1-methyl-ethyl]benzoic acid Formula: C26H22ClNO3S MolecularWeight: 463.97578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C26H22ClNO3S/c1-26(2,19-10-8-18(9-11-19)24(29)30)25-28-22(16-32-25)21-14-20(27)12-13-23(21)31-15-17-6-4-3-5-7-17/h3-14,16H,15H2,1-2H3,(H,29,30)