2-heptan-3-yl-1,3-oxazole-4-carboxylic acid

Systemtic Name: 2-heptan-3-yl-1,3-oxazole-4-carboxylic acid Openeye Name: 2-(1-ethylpentyl)oxazole-4-carboxylic acid CAS Name: 2-heptan-3-yl-4-oxazolecarboxylic acid IUPAC Name: 2-heptan-3-yl-1,3-oxazole-4-carboxylic acid Traditional Name: 2-(1-ethylpentyl)oxazole-4-carboxylic acid Formula: C11H17NO3 MolecularWeight: 211.25758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1=NC(=CO1)C(=O)O

Isomeric SMILES

CCCCC(CC)C1=NC(=CO1)C(=O)O

InChI

InChI=1S/C11H17NO3/c1-3-5-6-8(4-2)10-12-9(7-15-10)11(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)