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

Systemtic Name: 2-[3-chloranyl-1-methyl-5-(2,4,6-trimethylphenyl)carbonyl-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[3-chloro-1-methyl-5-(2,4,6-trimethylbenzoyl)pyrrol-2-yl]acetic acid CAS Name: 2-[3-chloro-1-methyl-5-[oxo-(2,4,6-trimethylphenyl)methyl]-2-pyrrolyl]acetic acid IUPAC Name: 2-[3-chloro-1-methyl-5-(2,4,6-trimethylbenzoyl)pyrrol-2-yl]acetic acid Traditional Name: 2-[3-chloro-1-methyl-5-(2,4,6-trimethylbenzoyl)pyrrol-2-yl]acetic acid Formula: C17H18ClNO3 MolecularWeight: 319.78272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)C2=CC(=C(N2C)CC(=O)O)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)C2=CC(=C(N2C)CC(=O)O)Cl)C

InChI

InChI=1S/C17H18ClNO3/c1-9-5-10(2)16(11(3)6-9)17(22)14-7-12(18)13(19(14)4)8-15(20)21/h5-7H,8H2,1-4H3,(H,20,21)