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

Systemtic Name: 2-[[4-(2-ethoxyphenyl)-2-fluoranyl-phenyl]carbamoyl]cyclopentene-1-carboxylic acid Openeye Name: 2-[[4-(2-ethoxyphenyl)-2-fluoro-phenyl]carbamoyl]cyclopentene-1-carboxylic acid CAS Name: 2-[[4-(2-ethoxyphenyl)-2-fluoroanilino]-oxomethyl]-1-cyclopentenecarboxylic acid IUPAC Name: 2-[[4-(2-ethoxyphenyl)-2-fluorophenyl]carbamoyl]cyclopentene-1-carboxylic acid Traditional Name: 2-[(2-fluoro-4-o-phenetyl-phenyl)carbamoyl]cyclopentene-1-carboxylic acid Formula: C21H20FNO4 MolecularWeight: 369.386203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=CC(=C(C=C2)NC(=O)C3=C(CCC3)C(=O)O)F

Isomeric SMILES

CCOC1=CC=CC=C1C2=CC(=C(C=C2)NC(=O)C3=C(CCC3)C(=O)O)F

InChI

InChI=1S/C21H20FNO4/c1-2-27-19-9-4-3-6-14(19)13-10-11-18(17(22)12-13)23-20(24)15-7-5-8-16(15)21(25)26/h3-4,6,9-12H,2,5,7-8H2,1H3,(H,23,24)(H,25,26)