3,3-dimethyl-2-phenyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]pent-4-enoic acid

Systemtic Name: 3,3-dimethyl-2-phenyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]pent-4-enoic acid Openeye Name: 3,3-dimethyl-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]pent-4-enoic acid CAS Name: 3,3-dimethyl-2-phenyl-2-[(2,2,2-trifluoro-1-oxoethyl)amino]-4-pentenoic acid IUPAC Name: 3,3-dimethyl-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]pent-4-enoic acid Traditional Name: 3,3-dimethyl-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]pent-4-enoic acid Formula: C15H16F3NO3 MolecularWeight: 315.28765

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=C)C(C1=CC=CC=C1)(C(=O)O)NC(=O)C(F)(F)F

Isomeric SMILES

CC(C)(C=C)C(C1=CC=CC=C1)(C(=O)O)NC(=O)C(F)(F)F

InChI

InChI=1S/C15H16F3NO3/c1-4-13(2,3)14(12(21)22,10-8-6-5-7-9-10)19-11(20)15(16,17)18/h4-9H,1H2,2-3H3,(H,19,20)(H,21,22)