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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)methoxy]benzoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-[(4-fluorophenyl)methoxy]benzoate CAS Name: 2-[(4-fluorophenyl)methoxy]benzoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate Traditional Name: 2-(4-fluorobenzyl)oxybenzoic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C24H25FN2O4 MolecularWeight: 424.464703

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=CC=CC=C1OCC2=CC=C(C=C2)F)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=CC=CC=C1OCC2=CC=C(C=C2)F)C3(CCCCC3)C#N

InChI

InChI=1S/C24H25FN2O4/c1-27(24(17-26)13-5-2-6-14-24)22(28)16-31-23(29)20-7-3-4-8-21(20)30-15-18-9-11-19(25)12-10-18/h3-4,7-12H,2,5-6,13-16H2,1H3