2-(2-phenylbutanoylamino)terephthalic acid

Systemtic Name: 2-(2-phenylbutanoylamino)terephthalic acid Openeye Name: 2-(2-phenylbutanoylamino)terephthalic acid CAS Name: 2-[(1-oxo-2-phenylbutyl)amino]terephthalic acid IUPAC Name: 2-(2-phenylbutanoylamino)terephthalic acid Traditional Name: 2-(2-phenylbutanoylamino)terephthalic acid Formula: C18H17NO5 MolecularWeight: 327.33128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H17NO5/c1-2-13(11-6-4-3-5-7-11)16(20)19-15-10-12(17(21)22)8-9-14(15)18(23)24/h3-10,13H,2H2,1H3,(H,19,20)(H,21,22)(H,23,24)