4-methyl-2-[4-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]phenyl]-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-methyl-2-[4-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]phenyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 4-methyl-2-[4-[[4-(1-methyl-1-phenyl-ethyl)phenoxy]methyl]phenyl]thiazole-5-carboxylic acid CAS Name: 4-methyl-2-[4-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]phenyl]-5-thiazolecarboxylic acid IUPAC Name: 4-methyl-2-[4-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]phenyl]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[4-[(4-cumylphenoxy)methyl]phenyl]-4-methyl-thiazole-5-carboxylic acid Formula: C27H25NO3S MolecularWeight: 443.5573

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=C(C=C2)COC3=CC=C(C=C3)C(C)(C)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=C(C=C2)COC3=CC=C(C=C3)C(C)(C)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H25NO3S/c1-18-24(26(29)30)32-25(28-18)20-11-9-19(10-12-20)17-31-23-15-13-22(14-16-23)27(2,3)21-7-5-4-6-8-21/h4-16H,17H2,1-3H3,(H,29,30)