1-butyl-2-methoxy-2-pentyl-pyrrol-3-one

Systemtic Name: 1-butyl-2-methoxy-2-pentyl-pyrrol-3-one Openeye Name: 1-butyl-2-methoxy-2-pentyl-pyrrol-3-one CAS Name: 1-butyl-2-methoxy-2-pentyl-3-pyrrolone IUPAC Name: 1-butyl-2-methoxy-2-pentylpyrrol-3-one Traditional Name: 2-amyl-1-butyl-2-methoxy-2-pyrrolin-3-one Formula: C14H25NO2 MolecularWeight: 239.3538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C(=O)C=CN1CCCC)OC

Isomeric SMILES

CCCCCC1(C(=O)C=CN1CCCC)OC

InChI

InChI=1S/C14H25NO2/c1-4-6-8-10-14(17-3)13(16)9-12-15(14)11-7-5-2/h9,12H,4-8,10-11H2,1-3H3