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

Systemtic Name: 2-[2,5-dimethyl-3-(phenylcarbonyl)pyrrol-1-yl]propanoic acid Openeye Name: 2-(3-benzoyl-2,5-dimethyl-pyrrol-1-yl)propanoic acid CAS Name: 2-(3-benzoyl-2,5-dimethyl-1-pyrrolyl)propanoic acid IUPAC Name: 2-(3-benzoyl-2,5-dimethylpyrrol-1-yl)propanoic acid Traditional Name: 2-(3-benzoyl-2,5-dimethyl-pyrrol-1-yl)propionic acid Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C(=O)O)C)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(N1C(C)C(=O)O)C)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H17NO3/c1-10-9-14(11(2)17(10)12(3)16(19)20)15(18)13-7-5-4-6-8-13/h4-9,12H,1-3H3,(H,19,20)