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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methoxy-benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3-fluoro-4-methoxy-benzoate CAS Name: 3-fluoro-4-methoxybenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate Traditional Name: 3-fluoro-4-methoxy-benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C17H19FN2O4 MolecularWeight: 334.342163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N)F

InChI

InChI=1S/C17H19FN2O4/c1-23-14-6-5-12(9-13(14)18)16(22)24-10-15(21)20-17(11-19)7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H,20,21)