[2,5-dimethyl-3-(phenylcarbonyl)pyrrol-1-yl] butanoate

Systemtic Name: [2,5-dimethyl-3-(phenylcarbonyl)pyrrol-1-yl] butanoate Openeye Name: (3-benzoyl-2,5-dimethyl-pyrrol-1-yl) butanoate CAS Name: butanoic acid (3-benzoyl-2,5-dimethyl-1-pyrrolyl) ester IUPAC Name: (3-benzoyl-2,5-dimethylpyrrol-1-yl) butanoate Traditional Name: butyric acid (3-benzoyl-2,5-dimethyl-pyrrol-1-yl) ester Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)ON1C(=CC(=C1C)C(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCCC(=O)ON1C(=CC(=C1C)C(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C17H19NO3/c1-4-8-16(19)21-18-12(2)11-15(13(18)3)17(20)14-9-6-5-7-10-14/h5-7,9-11H,4,8H2,1-3H3