5-[(5-but-3-ynoxy-4-chloranyl-2-fluoranyl-phenyl)amino]-5-oxidanylidene-3-(trifluoromethyl)pentanoic acid

Systemtic Name: 5-[(5-but-3-ynoxy-4-chloranyl-2-fluoranyl-phenyl)amino]-5-oxidanylidene-3-(trifluoromethyl)pentanoic acid Openeye Name: 5-(5-but-3-ynoxy-4-chloro-2-fluoro-anilino)-5-oxo-3-(trifluoromethyl)pentanoic acid CAS Name: 5-(5-but-3-ynoxy-4-chloro-2-fluoroanilino)-5-oxo-3-(trifluoromethyl)pentanoic acid IUPAC Name: 5-(5-but-3-ynoxy-4-chloro-2-fluoroanilino)-5-oxo-3-(trifluoromethyl)pentanoic acid Traditional Name: 5-(5-but-3-ynoxy-4-chloro-2-fluoro-anilino)-5-keto-3-(trifluoromethyl)valeric acid Formula: C16H14ClF4NO4 MolecularWeight: 395.733273

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCOC1=C(C=C(C(=C1)NC(=O)CC(CC(=O)O)C(F)(F)F)F)Cl

Isomeric SMILES

C#CCCOC1=C(C=C(C(=C1)NC(=O)CC(CC(=O)O)C(F)(F)F)F)Cl

InChI

InChI=1S/C16H14ClF4NO4/c1-2-3-4-26-13-8-12(11(18)7-10(13)17)22-14(23)5-9(6-15(24)25)16(19,20)21/h1,7-9H,3-6H2,(H,22,23)(H,24,25)