[1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid [1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)OC(C)C(=O)N(C)C2(CCCCC2)C#N)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)OC(C)C(=O)N(C)C2(CCCCC2)C#N)C

InChI

InChI=1S/C20H29N3O3/c1-6-23-14(2)12-17(15(23)3)19(25)26-16(4)18(24)22(5)20(13-21)10-8-7-9-11-20/h12,16H,6-11H2,1-5H3