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

Systemtic Name: 2-[[4-(3,4-dimethoxyphenyl)-2-fluoranyl-phenyl]carbamoyl]cyclopentene-1-carboxylic acid Openeye Name: 2-[[4-(3,4-dimethoxyphenyl)-2-fluoro-phenyl]carbamoyl]cyclopentene-1-carboxylic acid CAS Name: 2-[[4-(3,4-dimethoxyphenyl)-2-fluoroanilino]-oxomethyl]-1-cyclopentenecarboxylic acid IUPAC Name: 2-[[4-(3,4-dimethoxyphenyl)-2-fluorophenyl]carbamoyl]cyclopentene-1-carboxylic acid Traditional Name: 2-[[4-(3,4-dimethoxyphenyl)-2-fluoro-phenyl]carbamoyl]cyclopentene-1-carboxylic acid Formula: C21H20FNO5 MolecularWeight: 385.385603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=C(C=C2)NC(=O)C3=C(CCC3)C(=O)O)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=C(C=C2)NC(=O)C3=C(CCC3)C(=O)O)F)OC

InChI

InChI=1S/C21H20FNO5/c1-27-18-9-7-13(11-19(18)28-2)12-6-8-17(16(22)10-12)23-20(24)14-4-3-5-15(14)21(25)26/h6-11H,3-5H2,1-2H3,(H,23,24)(H,25,26)