4-[2-[3-cyano-5,6-bis(fluoranyl)indol-1-yl]-2-oxidanyl-ethyl]benzoic acid

Systemtic Name: 4-[2-[3-cyano-5,6-bis(fluoranyl)indol-1-yl]-2-oxidanyl-ethyl]benzoic acid Openeye Name: 4-[2-(3-cyano-5,6-difluoro-indol-1-yl)-2-hydroxy-ethyl]benzoic acid CAS Name: 4-[2-(3-cyano-5,6-difluoro-1-indolyl)-2-hydroxyethyl]benzoic acid IUPAC Name: 4-[2-(3-cyano-5,6-difluoroindol-1-yl)-2-hydroxyethyl]benzoic acid Traditional Name: 4-[2-(3-cyano-5,6-difluoro-indol-1-yl)-2-hydroxy-ethyl]benzoic acid Formula: C18H12F2N2O3 MolecularWeight: 342.296286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(N2C=C(C3=CC(=C(C=C32)F)F)C#N)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC(N2C=C(C3=CC(=C(C=C32)F)F)C#N)O)C(=O)O

InChI

InChI=1S/C18H12F2N2O3/c19-14-6-13-12(8-21)9-22(16(13)7-15(14)20)17(23)5-10-1-3-11(4-2-10)18(24)25/h1-4,6-7,9,17,23H,5H2,(H,24,25)