2-[5-(3-chlorophenyl)carbonyl-1,4-dimethyl-pyrrol-2-yl]propanoic acid

Systemtic Name: 2-[5-(3-chlorophenyl)carbonyl-1,4-dimethyl-pyrrol-2-yl]propanoic acid Openeye Name: 2-[5-(3-chlorobenzoyl)-1,4-dimethyl-pyrrol-2-yl]propanoic acid CAS Name: 2-[5-[(3-chlorophenyl)-oxomethyl]-1,4-dimethyl-2-pyrrolyl]propanoic acid IUPAC Name: 2-[5-(3-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]propanoic acid Traditional Name: 2-[5-(3-chlorobenzoyl)-1,4-dimethyl-pyrrol-2-yl]propionic acid Formula: C16H16ClNO3 MolecularWeight: 305.75614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClNO3/c1-9-7-13(10(2)16(20)21)18(3)14(9)15(19)11-5-4-6-12(17)8-11/h4-8,10H,1-3H3,(H,20,21)