[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methyl-benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C17H19FN2O3 MolecularWeight: 318.342763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N)F

InChI

InChI=1S/C17H19FN2O3/c1-12-5-6-13(9-14(12)18)16(22)23-10-15(21)20-17(11-19)7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H,20,21)