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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)OCC(=O)N2CCCCCC2

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)OCC(=O)N2CCCCCC2

InChI

InChI=1S/C15H20N2O4/c1-11(18)12-8-13(16-9-12)15(20)21-10-14(19)17-6-4-2-3-5-7-17/h8-9,16H,2-7,10H2,1H3