2-[3-[4-(3,3-dimethyl-2-oxidanylidene-butoxy)-3-methyl-phenyl]pentan-3-yl]-1,3-benzoxazole-6-carboxylic acid

Systemtic Name: 2-[3-[4-(3,3-dimethyl-2-oxidanylidene-butoxy)-3-methyl-phenyl]pentan-3-yl]-1,3-benzoxazole-6-carboxylic acid Openeye Name: 2-[1-[4-(3,3-dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl]-1,3-benzoxazole-6-carboxylic acid CAS Name: 2-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-1,3-benzoxazole-6-carboxylic acid IUPAC Name: 2-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-1,3-benzoxazole-6-carboxylic acid Traditional Name: 2-[1-ethyl-1-[4-(2-keto-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]-1,3-benzoxazole-6-carboxylic acid Formula: C26H31NO5 MolecularWeight: 437.52804

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C=C1)OCC(=O)C(C)(C)C)C)C2=NC3=C(O2)C=C(C=C3)C(=O)O

Isomeric SMILES

CCC(CC)(C1=CC(=C(C=C1)OCC(=O)C(C)(C)C)C)C2=NC3=C(O2)C=C(C=C3)C(=O)O

InChI

InChI=1S/C26H31NO5/c1-7-26(8-2,24-27-19-11-9-17(23(29)30)14-21(19)32-24)18-10-12-20(16(3)13-18)31-15-22(28)25(4,5)6/h9-14H,7-8,15H2,1-6H3,(H,29,30)