2-[3-bromanyl-1-ethyl-5-(2,4,6-trimethylphenyl)carbonyl-pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[3-bromanyl-1-ethyl-5-(2,4,6-trimethylphenyl)carbonyl-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[3-bromo-1-ethyl-5-(2,4,6-trimethylbenzoyl)pyrrol-2-yl]acetic acid CAS Name: 2-[3-bromo-1-ethyl-5-[oxo-(2,4,6-trimethylphenyl)methyl]-2-pyrrolyl]acetic acid IUPAC Name: 2-[3-bromo-1-ethyl-5-(2,4,6-trimethylbenzoyl)pyrrol-2-yl]acetic acid Traditional Name: 2-[3-bromo-1-ethyl-5-(2,4,6-trimethylbenzoyl)pyrrol-2-yl]acetic acid Formula: C18H20BrNO3 MolecularWeight: 378.2603

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1CC(=O)O)Br)C(=O)C2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCN1C(=CC(=C1CC(=O)O)Br)C(=O)C2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C18H20BrNO3/c1-5-20-14(9-16(21)22)13(19)8-15(20)18(23)17-11(3)6-10(2)7-12(17)4/h6-8H,5,9H2,1-4H3,(H,21,22)