2-[[4-(3-cyanophenyl)-2-fluoranyl-phenyl]carbamoyl]cyclopentene-1-carboxylic acid

Systemtic Name: 2-[[4-(3-cyanophenyl)-2-fluoranyl-phenyl]carbamoyl]cyclopentene-1-carboxylic acid Openeye Name: 2-[[4-(3-cyanophenyl)-2-fluoro-phenyl]carbamoyl]cyclopentene-1-carboxylic acid CAS Name: 2-[[4-(3-cyanophenyl)-2-fluoroanilino]-oxomethyl]-1-cyclopentenecarboxylic acid IUPAC Name: 2-[[4-(3-cyanophenyl)-2-fluorophenyl]carbamoyl]cyclopentene-1-carboxylic acid Traditional Name: 2-[[4-(3-cyanophenyl)-2-fluoro-phenyl]carbamoyl]cyclopentene-1-carboxylic acid Formula: C20H15FN2O3 MolecularWeight: 350.343103

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C1)C(=O)O)C(=O)NC2=C(C=C(C=C2)C3=CC=CC(=C3)C#N)F

Isomeric SMILES

C1CC(=C(C1)C(=O)O)C(=O)NC2=C(C=C(C=C2)C3=CC=CC(=C3)C#N)F

InChI

InChI=1S/C20H15FN2O3/c21-17-10-14(13-4-1-3-12(9-13)11-22)7-8-18(17)23-19(24)15-5-2-6-16(15)20(25)26/h1,3-4,7-10H,2,5-6H2,(H,23,24)(H,25,26)