4-[3,4-bis(fluoranyl)phenyl]-3-(3-bromophenyl)-4-cyano-butanoic acid

Systemtic Name: 4-[3,4-bis(fluoranyl)phenyl]-3-(3-bromophenyl)-4-cyano-butanoic acid Openeye Name: 3-(3-bromophenyl)-4-cyano-4-(3,4-difluorophenyl)butanoic acid CAS Name: 3-(3-bromophenyl)-4-cyano-4-(3,4-difluorophenyl)butanoic acid IUPAC Name: 3-(3-bromophenyl)-4-cyano-4-(3,4-difluorophenyl)butanoic acid Traditional Name: 3-(3-bromophenyl)-4-cyano-4-(3,4-difluorophenyl)butyric acid Formula: C17H12BrF2NO2 MolecularWeight: 380.183486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrF2NO2/c18-12-3-1-2-10(6-12)13(8-17(22)23)14(9-21)11-4-5-15(19)16(20)7-11/h1-7,13-14H,8H2,(H,22,23)