[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-cyclohexyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-cyclohexyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 2-cyclohexyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-cyclohexyl-1,3-dioxo-5-isoindolecarboxylic acid [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-cyclohexyl-1,3-diketo-isoindoline-5-carboxylic acid [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4CCCCC4

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4CCCCC4

InChI

InChI=1S/C23H25N3O5/c1-23(13-24,15-8-9-15)25-19(27)12-31-22(30)14-7-10-17-18(11-14)21(29)26(20(17)28)16-5-3-2-4-6-16/h7,10-11,15-16H,2-6,8-9,12H2,1H3,(H,25,27)/t23-/m0/s1