3-(3-chlorophenyl)-4-cyano-4-(3-fluorophenyl)butanoic acid

Systemtic Name: 3-(3-chlorophenyl)-4-cyano-4-(3-fluorophenyl)butanoic acid Openeye Name: 3-(3-chlorophenyl)-4-cyano-4-(3-fluorophenyl)butanoic acid CAS Name: 3-(3-chlorophenyl)-4-cyano-4-(3-fluorophenyl)butanoic acid IUPAC Name: 3-(3-chlorophenyl)-4-cyano-4-(3-fluorophenyl)butanoic acid Traditional Name: 3-(3-chlorophenyl)-4-cyano-4-(3-fluorophenyl)butyric acid Formula: C17H13ClFNO2 MolecularWeight: 317.742023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)C(C#N)C(CC(=O)O)C2=CC(=CC=C2)Cl

Isomeric SMILES

C1=CC(=CC(=C1)F)C(C#N)C(CC(=O)O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H13ClFNO2/c18-13-5-1-3-11(7-13)15(9-17(21)22)16(10-20)12-4-2-6-14(19)8-12/h1-8,15-16H,9H2,(H,21,22)