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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)methoxy]benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-[(4-fluorophenyl)methoxy]benzoate CAS Name: 2-[(4-fluorophenyl)methoxy]benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate Traditional Name: 2-(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=C2OCC3=CC=C(C=C3)F

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)F

InChI

InChI=1S/C23H23FN2O4/c24-18-10-8-17(9-11-18)14-29-20-7-3-2-6-19(20)22(28)30-15-21(27)26-23(16-25)12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-15H2,(H,26,27)