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

Systemtic Name: O2-[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-[(1-cyanocyclohexyl)-methyl-amino]-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-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester O4-propan-2-yl ester IUPAC Name: 2-O-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 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-[2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-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)OCC(=O)N(C)C2(CCCCC2)C#N

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OCC(=O)N(C)C2(CCCCC2)C#N

InChI

InChI=1S/C21H29N3O5/c1-13(2)29-19(26)17-14(3)18(23-15(17)4)20(27)28-11-16(25)24(5)21(12-22)9-7-6-8-10-21/h13,23H,6-11H2,1-5H3