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

Systemtic Name: 2-[2,5-dimethyl-3-(phenylcarbonyl)pyrrol-1-yl]butanal Openeye Name: 2-(3-benzoyl-2,5-dimethyl-pyrrol-1-yl)butanal CAS Name: 2-(3-benzoyl-2,5-dimethyl-1-pyrrolyl)butanal IUPAC Name: 2-(3-benzoyl-2,5-dimethylpyrrol-1-yl)butanal Traditional Name: 2-(3-benzoyl-2,5-dimethyl-pyrrol-1-yl)butyraldehyde Formula: C17H19NO2 MolecularWeight: 269.33826

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=O)N1C(=CC(=C1C)C(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCC(C=O)N1C(=CC(=C1C)C(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C17H19NO2/c1-4-15(11-19)18-12(2)10-16(13(18)3)17(20)14-8-6-5-7-9-14/h5-11,15H,4H2,1-3H3