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

Systemtic Name: ethyl 4-(azepan-1-ylcarbonyl)-1,3,5-trimethyl-pyrrole-2-carboxylate Openeye Name: ethyl 4-(azepane-1-carbonyl)-1,3,5-trimethyl-pyrrole-2-carboxylate CAS Name: 4-[1-azepanyl(oxo)methyl]-1,3,5-trimethyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(azepane-1-carbonyl)-1,3,5-trimethylpyrrole-2-carboxylate Traditional Name: 4-(azepane-1-carbonyl)-1,3,5-trimethyl-pyrrole-2-carboxylic acid ethyl ester Formula: C17H26N2O3 MolecularWeight: 306.39994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)N2CCCCCC2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)N2CCCCCC2)C

InChI

InChI=1S/C17H26N2O3/c1-5-22-17(21)15-12(2)14(13(3)18(15)4)16(20)19-10-8-6-7-9-11-19/h5-11H2,1-4H3