O2-[(2R)-1-[(1-cyanocyclohexyl)-methyl-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)-methyl-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)-methyl-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)-methylamino]-1-oxopropan-2-yl] ester O4-propan-2-yl ester IUPAC Name: 2-O-[(2R)-1-[(1-cyanocyclohexyl)-methylamino]-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)-methyl-amino]-2-keto-1-methyl-ethyl] ester O4-isopropyl ester Formula: C22H31N3O5 MolecularWeight: 417.49864

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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)N(C)C2(CCCCC2)C#N

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)O[C@H](C)C(=O)N(C)C2(CCCCC2)C#N

InChI

InChI=1S/C22H31N3O5/c1-13(2)29-20(27)17-14(3)18(24-15(17)4)21(28)30-16(5)19(26)25(6)22(12-23)10-8-7-9-11-22/h13,16,24H,7-11H2,1-6H3/t16-/m1/s1