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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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