[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-[(2-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-fluorobenzoyl)amino]-3-methyl-butyric acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C22H28FN3O4 MolecularWeight: 417.473823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N(C)C1(CCCCC1)C#N)NC(=O)C2=CC=CC=C2F

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)N(C)C1(CCCCC1)C#N)NC(=O)C2=CC=CC=C2F

InChI

InChI=1S/C22H28FN3O4/c1-15(2)19(25-20(28)16-9-5-6-10-17(16)23)21(29)30-13-18(27)26(3)22(14-24)11-7-4-8-12-22/h5-6,9-10,15,19H,4,7-8,11-13H2,1-3H3,(H,25,28)