5-azanyl-3-propoxy-4-[2,2,2-tris(fluoranyl)ethanoylamino]cyclohexene-1-carboxylic acid

Systemtic Name: 5-azanyl-3-propoxy-4-[2,2,2-tris(fluoranyl)ethanoylamino]cyclohexene-1-carboxylic acid Openeye Name: 5-amino-3-propoxy-4-[(2,2,2-trifluoroacetyl)amino]cyclohexene-1-carboxylic acid CAS Name: 5-amino-3-propoxy-4-[(2,2,2-trifluoro-1-oxoethyl)amino]-1-cyclohexenecarboxylic acid IUPAC Name: 5-amino-3-propoxy-4-[(2,2,2-trifluoroacetyl)amino]cyclohexene-1-carboxylic acid Traditional Name: 5-amino-3-propoxy-4-[(2,2,2-trifluoroacetyl)amino]cyclohexene-1-carboxylic acid Formula: C12H17F3N2O4 MolecularWeight: 310.26959

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1C=C(CC(C1NC(=O)C(F)(F)F)N)C(=O)O

Isomeric SMILES

CCCOC1C=C(CC(C1NC(=O)C(F)(F)F)N)C(=O)O

InChI

InChI=1S/C12H17F3N2O4/c1-2-3-21-8-5-6(10(18)19)4-7(16)9(8)17-11(20)12(13,14)15/h5,7-9H,2-4,16H2,1H3,(H,17,20)(H,18,19)