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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-[(4-fluorophenyl)methoxy]benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3-[(4-fluorophenyl)methoxy]benzoate CAS Name: 3-[(4-fluorophenyl)methoxy]benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-[(4-fluorophenyl)methoxy]benzoate Traditional Name: 3-(4-fluorobenzyl)oxybenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C23H23FN2O4 MolecularWeight: 410.438123

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC(=CC=C2)OCC3=CC=C(C=C3)F

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC(=CC=C2)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C23H23FN2O4/c24-19-9-7-17(8-10-19)14-29-20-6-4-5-18(13-20)22(28)30-15-21(27)26-23(16-25)11-2-1-3-12-23/h4-10,13H,1-3,11-12,14-15H2,(H,26,27)