2-[2-(2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]ethanoic acid

Systemtic Name: 2-[2-(2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]ethanoic acid Openeye Name: 2-[2-(2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]acetic acid CAS Name: 2-[2-(2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]acetic acid IUPAC Name: 2-[2-(2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]acetic acid Traditional Name: 2-(2-neopentyl-1,3-benzoxazol-5-yl)acetic acid Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=NC2=C(O1)C=CC(=C2)CC(=O)O

Isomeric SMILES

CC(C)(C)CC1=NC2=C(O1)C=CC(=C2)CC(=O)O

InChI

InChI=1S/C14H17NO3/c1-14(2,3)8-12-15-10-6-9(7-13(16)17)4-5-11(10)18-12/h4-6H,7-8H2,1-3H3,(H,16,17)