2-[2-(butylamino)phenyl]carbonylpropanedioic acid

Systemtic Name: 2-[2-(butylamino)phenyl]carbonylpropanedioic acid Openeye Name: 2-[2-(butylamino)benzoyl]propanedioic acid CAS Name: 2-[[2-(butylamino)phenyl]-oxomethyl]propanedioic acid IUPAC Name: 2-[2-(butylamino)benzoyl]propanedioic acid Traditional Name: 2-[2-(butylamino)benzoyl]malonic acid Formula: C14H17NO5 MolecularWeight: 279.28848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC=C1C(=O)C(C(=O)O)C(=O)O

Isomeric SMILES

CCCCNC1=CC=CC=C1C(=O)C(C(=O)O)C(=O)O

InChI

InChI=1S/C14H17NO5/c1-2-3-8-15-10-7-5-4-6-9(10)12(16)11(13(17)18)14(19)20/h4-7,11,15H,2-3,8H2,1H3,(H,17,18)(H,19,20)