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

Systemtic Name: 3-[4-(octylamino)phenyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-(octylamino)phenyl]-3-oxo-propanoic acid CAS Name: 3-[4-(octylamino)phenyl]-3-oxopropanoic acid IUPAC Name: 3-[4-(octylamino)phenyl]-3-oxopropanoic acid Traditional Name: 3-keto-3-[4-(octylamino)phenyl]propionic acid Formula: C17H25NO3 MolecularWeight: 291.3853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=CC=C(C=C1)C(=O)CC(=O)O

Isomeric SMILES

CCCCCCCCNC1=CC=C(C=C1)C(=O)CC(=O)O

InChI

InChI=1S/C17H25NO3/c1-2-3-4-5-6-7-12-18-15-10-8-14(9-11-15)16(19)13-17(20)21/h8-11,18H,2-7,12-13H2,1H3,(H,20,21)