3-(4-acetyloxyphenyl)-2-(2-butanoylpyrrol-1-yl)propanoic acid

Systemtic Name: 3-(4-acetyloxyphenyl)-2-(2-butanoylpyrrol-1-yl)propanoic acid Openeye Name: 3-(4-acetoxyphenyl)-2-(2-butanoylpyrrol-1-yl)propanoic acid CAS Name: 3-(4-acetyloxyphenyl)-2-[2-(1-oxobutyl)-1-pyrrolyl]propanoic acid IUPAC Name: 3-(4-acetyloxyphenyl)-2-(2-butanoylpyrrol-1-yl)propanoic acid Traditional Name: 3-(4-acetoxyphenyl)-2-(2-butyrylpyrrol-1-yl)propionic acid Formula: C19H21NO5 MolecularWeight: 343.37374

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC=CN1C(CC2=CC=C(C=C2)OC(=O)C)C(=O)O

Isomeric SMILES

CCCC(=O)C1=CC=CN1C(CC2=CC=C(C=C2)OC(=O)C)C(=O)O

InChI

InChI=1S/C19H21NO5/c1-3-5-18(22)16-6-4-11-20(16)17(19(23)24)12-14-7-9-15(10-8-14)25-13(2)21/h4,6-11,17H,3,5,12H2,1-2H3,(H,23,24)