2-[4-(1,2-benzoxazol-3-yl)-2,3-dimethyl-phenoxy]hexanoic acid

Systemtic Name: 2-[4-(1,2-benzoxazol-3-yl)-2,3-dimethyl-phenoxy]hexanoic acid Openeye Name: 2-[4-(1,2-benzoxazol-3-yl)-2,3-dimethyl-phenoxy]hexanoic acid CAS Name: 2-[4-(1,2-benzoxazol-3-yl)-2,3-dimethylphenoxy]hexanoic acid IUPAC Name: 2-[4-(1,2-benzoxazol-3-yl)-2,3-dimethylphenoxy]hexanoic acid Traditional Name: 2-(4-indoxazen-3-yl-2,3-dimethyl-phenoxy)hexanoic acid Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)OC1=C(C(=C(C=C1)C2=NOC3=CC=CC=C32)C)C

Isomeric SMILES

CCCCC(C(=O)O)OC1=C(C(=C(C=C1)C2=NOC3=CC=CC=C32)C)C

InChI

InChI=1S/C21H23NO4/c1-4-5-9-19(21(23)24)25-17-12-11-15(13(2)14(17)3)20-16-8-6-7-10-18(16)26-22-20/h6-8,10-12,19H,4-5,9H2,1-3H3,(H,23,24)