ethyl 4-(azepan-1-ylcarbonyl)-1-ethyl-3,5-dimethyl-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-(azepan-1-ylcarbonyl)-1-ethyl-3,5-dimethyl-pyrrole-2-carboxylate Openeye Name: ethyl 4-(azepane-1-carbonyl)-1-ethyl-3,5-dimethyl-pyrrole-2-carboxylate CAS Name: 4-[1-azepanyl(oxo)methyl]-1-ethyl-3,5-dimethyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(azepane-1-carbonyl)-1-ethyl-3,5-dimethylpyrrole-2-carboxylate Traditional Name: 4-(azepane-1-carbonyl)-1-ethyl-3,5-dimethyl-pyrrole-2-carboxylic acid ethyl ester Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C(=O)OCC)C)C(=O)N2CCCCCC2)C

Isomeric SMILES

CCN1C(=C(C(=C1C(=O)OCC)C)C(=O)N2CCCCCC2)C

InChI

InChI=1S/C18H28N2O3/c1-5-20-14(4)15(13(3)16(20)18(22)23-6-2)17(21)19-11-9-7-8-10-12-19/h5-12H2,1-4H3