4-[4-[[3-(methylamino)phenyl]carbonylamino]phenyl]butanoic acid

Systemtic Name: 4-[4-[[3-(methylamino)phenyl]carbonylamino]phenyl]butanoic acid Openeye Name: 4-[4-[[3-(methylamino)benzoyl]amino]phenyl]butanoic acid CAS Name: 4-[4-[[[3-(methylamino)phenyl]-oxomethyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-[[3-(methylamino)benzoyl]amino]phenyl]butanoic acid Traditional Name: 4-[4-[[3-(methylamino)benzoyl]amino]phenyl]butyric acid Formula: C18H20N2O3 MolecularWeight: 312.363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)CCCC(=O)O

Isomeric SMILES

CNC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)CCCC(=O)O

InChI

InChI=1S/C18H20N2O3/c1-19-16-6-3-5-14(12-16)18(23)20-15-10-8-13(9-11-15)4-2-7-17(21)22/h3,5-6,8-12,19H,2,4,7H2,1H3,(H,20,23)(H,21,22)