3-[[3-[2-cyano-2-(3-fluorophenyl)ethenyl]indol-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[3-[2-cyano-2-(3-fluorophenyl)ethenyl]indol-1-yl]methyl]benzoic acid Openeye Name: 3-[[3-[2-cyano-2-(3-fluorophenyl)vinyl]indol-1-yl]methyl]benzoic acid CAS Name: 3-[[3-[2-cyano-2-(3-fluorophenyl)ethenyl]-1-indolyl]methyl]benzoic acid IUPAC Name: 3-[[3-[2-cyano-2-(3-fluorophenyl)ethenyl]indol-1-yl]methyl]benzoic acid Traditional Name: 3-[[3-[2-cyano-2-(3-fluorophenyl)vinyl]indol-1-yl]methyl]benzoic acid Formula: C25H17FN2O2 MolecularWeight: 396.413083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=CC=CC(=C3)C(=O)O)C=C(C#N)C4=CC(=CC=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC=CC(=C3)C(=O)O)C=C(C#N)C4=CC(=CC=C4)F

InChI

InChI=1S/C25H17FN2O2/c26-22-8-4-6-18(13-22)20(14-27)12-21-16-28(24-10-2-1-9-23(21)24)15-17-5-3-7-19(11-17)25(29)30/h1-13,16H,15H2,(H,29,30)