ethyl 5-[2-(azocan-1-yl)ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-(azocan-1-yl)ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(azocan-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(1-azocanyl)-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(azocan-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(azocan-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CN2CCCCCCC2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CN2CCCCCCC2)C

InChI

InChI=1S/C18H28N2O3/c1-4-23-18(22)16-13(2)17(19-14(16)3)15(21)12-20-10-8-6-5-7-9-11-20/h19H,4-12H2,1-3H3