2-[4-chloranyl-2-[3-fluoranyl-4-(pentan-3-ylcarbamoyl)phenyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-chloranyl-2-[3-fluoranyl-4-(pentan-3-ylcarbamoyl)phenyl]phenoxy]ethanoic acid Openeye Name: 2-[4-chloro-2-[4-(1-ethylpropylcarbamoyl)-3-fluoro-phenyl]phenoxy]acetic acid CAS Name: 2-[4-chloro-2-[3-fluoro-4-[oxo-(pentan-3-ylamino)methyl]phenyl]phenoxy]acetic acid IUPAC Name: 2-[4-chloro-2-[3-fluoro-4-(pentan-3-ylcarbamoyl)phenyl]phenoxy]acetic acid Traditional Name: 2-[4-chloro-2-[4-(1-ethylpropylcarbamoyl)-3-fluoro-phenyl]phenoxy]acetic acid Formula: C20H21ClFNO4 MolecularWeight: 393.836443

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C1=C(C=C(C=C1)C2=C(C=CC(=C2)Cl)OCC(=O)O)F

Isomeric SMILES

CCC(CC)NC(=O)C1=C(C=C(C=C1)C2=C(C=CC(=C2)Cl)OCC(=O)O)F

InChI

InChI=1S/C20H21ClFNO4/c1-3-14(4-2)23-20(26)15-7-5-12(9-17(15)22)16-10-13(21)6-8-18(16)27-11-19(24)25/h5-10,14H,3-4,11H2,1-2H3,(H,23,26)(H,24,25)