2-butyl-1,3-benzoxazole-5-carboxylic acid

Systemtic Name: 2-butyl-1,3-benzoxazole-5-carboxylic acid Openeye Name: 2-butyl-1,3-benzoxazole-5-carboxylic acid CAS Name: 2-butyl-1,3-benzoxazole-5-carboxylic acid IUPAC Name: 2-butyl-1,3-benzoxazole-5-carboxylic acid Traditional Name: 2-butyl-1,3-benzoxazole-5-carboxylic acid Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(O1)C=CC(=C2)C(=O)O

Isomeric SMILES

CCCCC1=NC2=C(O1)C=CC(=C2)C(=O)O

InChI

InChI=1S/C12H13NO3/c1-2-3-4-11-13-9-7-8(12(14)15)5-6-10(9)16-11/h5-7H,2-4H2,1H3,(H,14,15)