4-oxidanylidene-3-(phenylmethyl)-4-[[3-(trifluoromethyl)phenyl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-4-[[3-(trifluoromethyl)phenyl]amino]butanoic acid Openeye Name: 3-benzyl-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid CAS Name: 4-oxo-3-(phenylmethyl)-4-[3-(trifluoromethyl)anilino]butanoic acid IUPAC Name: 3-benzyl-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid Traditional Name: 3-benzyl-4-keto-4-[3-(trifluoromethyl)anilino]butyric acid Formula: C18H16F3NO3 MolecularWeight: 351.31975

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16F3NO3/c19-18(20,21)14-7-4-8-15(11-14)22-17(25)13(10-16(23)24)9-12-5-2-1-3-6-12/h1-8,11,13H,9-10H2,(H,22,25)(H,23,24)