4-[2-(4-chlorophenyl)ethyl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[2-(4-chlorophenyl)ethyl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[2-(4-chlorophenyl)ethyl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[2-(4-chlorophenyl)ethyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[2-(4-chlorophenyl)ethyl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[2-(4-chlorophenyl)ethyl]-1H-pyrrole-2-carboxylic acid Formula: C13H12ClNO2 MolecularWeight: 249.69288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC2=CNC(=C2)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CCC2=CNC(=C2)C(=O)O)Cl

InChI

InChI=1S/C13H12ClNO2/c14-11-5-3-9(4-6-11)1-2-10-7-12(13(16)17)15-8-10/h3-8,15H,1-2H2,(H,16,17)