methyl 1-[3-[3,4-bis(fluoranyl)phenyl]propanoylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[3-[3,4-bis(fluoranyl)phenyl]propanoylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[3-(3,4-difluorophenyl)propanoylamino]cyclohexanecarboxylate CAS Name: 1-[[3-(3,4-difluorophenyl)-1-oxopropyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(3,4-difluorophenyl)propanoylamino]cyclohexane-1-carboxylate Traditional Name: 1-[3-(3,4-difluorophenyl)propanoylamino]cyclohexanecarboxylic acid methyl ester Formula: C17H21F2NO3 MolecularWeight: 325.350346

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)CCC2=CC(=C(C=C2)F)F

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)CCC2=CC(=C(C=C2)F)F

InChI

InChI=1S/C17H21F2NO3/c1-23-16(22)17(9-3-2-4-10-17)20-15(21)8-6-12-5-7-13(18)14(19)11-12/h5,7,11H,2-4,6,8-10H2,1H3,(H,20,21)