3-[4-(dodecylamino)phenyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[4-(dodecylamino)phenyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-(dodecylamino)phenyl]-3-oxo-propanoic acid CAS Name: 3-[4-(dodecylamino)phenyl]-3-oxopropanoic acid IUPAC Name: 3-[4-(dodecylamino)phenyl]-3-oxopropanoic acid Traditional Name: 3-keto-3-[4-(laurylamino)phenyl]propionic acid Formula: C21H33NO3 MolecularWeight: 347.49162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)CC(=O)O

InChI

InChI=1S/C21H33NO3/c1-2-3-4-5-6-7-8-9-10-11-16-22-19-14-12-18(13-15-19)20(23)17-21(24)25/h12-15,22H,2-11,16-17H2,1H3,(H,24,25)