[(2S)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-2-phenylazanyl-furan-3-carboxylate

Systemtic Name: [(2S)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-2-phenylazanyl-furan-3-carboxylate Openeye Name: [(1S)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl] 2-anilino-4-oxo-furan-3-carboxylate CAS Name: 2-anilino-4-oxo-3-furancarboxylic acid [(2S)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 2-anilino-4-oxofuran-3-carboxylate Traditional Name: 2-anilino-4-keto-furan-3-carboxylic acid [(1S)-2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)OC(=O)C2=C(OCC2=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)N(C)C1(CCCCC1)C#N)OC(=O)C2=C(OCC2=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O5/c1-15(20(27)25(2)22(14-23)11-7-4-8-12-22)30-21(28)18-17(26)13-29-19(18)24-16-9-5-3-6-10-16/h3,5-6,9-10,15,24H,4,7-8,11-13H2,1-2H3/t15-/m0/s1