2-[4-chloranyl-1-ethyl-5-(2,4,6-trimethylphenyl)carbonyl-pyrrol-2-yl]propanoic acid

Systemtic Name: 2-[4-chloranyl-1-ethyl-5-(2,4,6-trimethylphenyl)carbonyl-pyrrol-2-yl]propanoic acid Openeye Name: 2-[4-chloro-1-ethyl-5-(2,4,6-trimethylbenzoyl)pyrrol-2-yl]propanoic acid CAS Name: 2-[4-chloro-1-ethyl-5-[oxo-(2,4,6-trimethylphenyl)methyl]-2-pyrrolyl]propanoic acid IUPAC Name: 2-[4-chloro-1-ethyl-5-(2,4,6-trimethylbenzoyl)pyrrol-2-yl]propanoic acid Traditional Name: 2-[4-chloro-1-ethyl-5-(2,4,6-trimethylbenzoyl)pyrrol-2-yl]propionic acid Formula: C19H22ClNO3 MolecularWeight: 347.83588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C(=O)C2=C(C=C(C=C2C)C)C)Cl)C(C)C(=O)O

Isomeric SMILES

CCN1C(=CC(=C1C(=O)C2=C(C=C(C=C2C)C)C)Cl)C(C)C(=O)O

InChI

InChI=1S/C19H22ClNO3/c1-6-21-15(13(5)19(23)24)9-14(20)17(21)18(22)16-11(3)7-10(2)8-12(16)4/h7-9,13H,6H2,1-5H3,(H,23,24)