2-[5-(3-chloranyl-4-methyl-phenyl)carbonyl-1-methyl-pyrrol-2-yl]butanoic acid

Systemtic Name: 2-[5-(3-chloranyl-4-methyl-phenyl)carbonyl-1-methyl-pyrrol-2-yl]butanoic acid Openeye Name: 2-[5-(3-chloro-4-methyl-benzoyl)-1-methyl-pyrrol-2-yl]butanoic acid CAS Name: 2-[5-[(3-chloro-4-methylphenyl)-oxomethyl]-1-methyl-2-pyrrolyl]butanoic acid IUPAC Name: 2-[5-(3-chloro-4-methylbenzoyl)-1-methylpyrrol-2-yl]butanoic acid Traditional Name: 2-[5-(3-chloro-4-methyl-benzoyl)-1-methyl-pyrrol-2-yl]butyric acid Formula: C17H18ClNO3 MolecularWeight: 319.78272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(N1C)C(=O)C2=CC(=C(C=C2)C)Cl)C(=O)O

Isomeric SMILES

CCC(C1=CC=C(N1C)C(=O)C2=CC(=C(C=C2)C)Cl)C(=O)O

InChI

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