O2-[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] O4-isopropyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester O4-propan-2-yl ester IUPAC Name: 2-O-[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[(1R)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester O4-isopropyl ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OC(C)C(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)O[C@H](C)C(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C21H29N3O5/c1-12(2)28-19(26)16-13(3)17(23-14(16)4)20(27)29-15(5)18(25)24-21(11-22)9-7-6-8-10-21/h12,15,23H,6-10H2,1-5H3,(H,24,25)/t15-/m1/s1