[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 1-(2-fluorophenyl)cyclopentanecarboxylate CAS Name: 1-(2-fluorophenyl)-1-cyclopentanecarboxylic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(2-fluorophenyl)cyclopentanecarboxylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C22H27FN2O3 MolecularWeight: 386.459783

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1(CCCC1)C2=CC=CC=C2F)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1(CCCC1)C2=CC=CC=C2F)C3(CCCCC3)C#N

InChI

InChI=1S/C22H27FN2O3/c1-25(21(16-24)11-5-2-6-12-21)19(26)15-28-20(27)22(13-7-8-14-22)17-9-3-4-10-18(17)23/h3-4,9-10H,2,5-8,11-15H2,1H3