2-[(5-ethylfuran-2-yl)carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(5-ethylfuran-2-yl)carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(5-ethylfuran-2-carbonyl)amino]-3-methyl-butanoic acid CAS Name: 2-[[(5-ethyl-2-furanyl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(5-ethylfuran-2-carbonyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(5-ethyl-2-furoyl)amino]-3-methyl-butyric acid Formula: C12H17NO4 MolecularWeight: 239.26768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CCC1=CC=C(O1)C(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C12H17NO4/c1-4-8-5-6-9(17-8)11(14)13-10(7(2)3)12(15)16/h5-7,10H,4H2,1-3H3,(H,13,14)(H,15,16)