2-[5-(4-chlorophenyl)carbonyl-3-ethyl-2,4-dimethyl-pyrrol-3-yl]ethanoic acid

Systemtic Name: 2-[5-(4-chlorophenyl)carbonyl-3-ethyl-2,4-dimethyl-pyrrol-3-yl]ethanoic acid Openeye Name: 2-[5-(4-chlorobenzoyl)-3-ethyl-2,4-dimethyl-pyrrol-3-yl]acetic acid CAS Name: 2-[5-[(4-chlorophenyl)-oxomethyl]-3-ethyl-2,4-dimethyl-3-pyrrolyl]acetic acid IUPAC Name: 2-[5-(4-chlorobenzoyl)-3-ethyl-2,4-dimethylpyrrol-3-yl]acetic acid Traditional Name: 2-[5-(4-chlorobenzoyl)-3-ethyl-2,4-dimethyl-pyrrol-3-yl]acetic acid Formula: C17H18ClNO3 MolecularWeight: 319.78272

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=C(N=C1C)C(=O)C2=CC=C(C=C2)Cl)C)CC(=O)O

Isomeric SMILES

CCC1(C(=C(N=C1C)C(=O)C2=CC=C(C=C2)Cl)C)CC(=O)O

InChI

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