3-methyl-3-pyrrol-1-yl-butanoate

Systemtic Name: 3-methyl-3-pyrrol-1-yl-butanoate Openeye Name: 3-methyl-3-pyrrol-1-yl-butanoate CAS Name: 3-methyl-3-(1-pyrrolyl)butanoate IUPAC Name: 3-methyl-3-pyrrol-1-ylbutanoate Traditional Name: 3-methyl-3-pyrrol-1-yl-butyrate Formula: C9H12NO2- MolecularWeight: 166.19708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)[O-])N1C=CC=C1

Isomeric SMILES

CC(C)(CC(=O)[O-])N1C=CC=C1

InChI

InChI=1S/C9H13NO2/c1-9(2,7-8(11)12)10-5-3-4-6-10/h3-6H,7H2,1-2H3,(H,11,12)/p-1