4-(4-cyano-2-methoxy-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentanoic acid

Systemtic Name: 4-(4-cyano-2-methoxy-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentanoic acid Openeye Name: 4-(4-cyano-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid CAS Name: 4-(4-cyano-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid IUPAC Name: 4-(4-cyano-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid Traditional Name: 4-(4-cyano-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)valeric acid Formula: C15H16F3NO4 MolecularWeight: 331.28705

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C(=O)O)(C(F)(F)F)O)C1=C(C=C(C=C1)C#N)OC

Isomeric SMILES

CC(C)(CC(C(=O)O)(C(F)(F)F)O)C1=C(C=C(C=C1)C#N)OC

InChI

InChI=1S/C15H16F3NO4/c1-13(2,8-14(22,12(20)21)15(16,17)18)10-5-4-9(7-19)6-11(10)23-3/h4-6,22H,8H2,1-3H3,(H,20,21)