4-oxidanylidene-2-(pyridin-3-ylmethylamino)-4-[[3-(trifluoromethyl)phenyl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-2-(pyridin-3-ylmethylamino)-4-[[3-(trifluoromethyl)phenyl]amino]butanoic acid Openeye Name: 4-oxo-2-(3-pyridylmethylamino)-4-[3-(trifluoromethyl)anilino]butanoic acid CAS Name: 4-oxo-2-(3-pyridinylmethylamino)-4-[3-(trifluoromethyl)anilino]butanoic acid IUPAC Name: 4-oxo-2-(pyridin-3-ylmethylamino)-4-[3-(trifluoromethyl)anilino]butanoic acid Traditional Name: 4-keto-2-(3-pyridylmethylamino)-4-[3-(trifluoromethyl)anilino]butyric acid Formula: C17H16F3N3O3 MolecularWeight: 367.32245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CC(C(=O)O)NCC2=CN=CC=C2)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CC(C(=O)O)NCC2=CN=CC=C2)C(F)(F)F

InChI

InChI=1S/C17H16F3N3O3/c18-17(19,20)12-4-1-5-13(7-12)23-15(24)8-14(16(25)26)22-10-11-3-2-6-21-9-11/h1-7,9,14,22H,8,10H2,(H,23,24)(H,25,26)