[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)OCC(=O)N2CCCCCCC2

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)OCC(=O)N2CCCCCCC2

InChI

InChI=1S/C16H22N2O4/c1-12(19)13-9-14(17-10-13)16(21)22-11-15(20)18-7-5-3-2-4-6-8-18/h9-10,17H,2-8,11H2,1H3