2-(3-chloranyl-4-pyrrol-1-yl-phenyl)propanoic acid

Systemtic Name: 2-(3-chloranyl-4-pyrrol-1-yl-phenyl)propanoic acid Openeye Name: 2-(3-chloro-4-pyrrol-1-yl-phenyl)propanoic acid CAS Name: 2-[3-chloro-4-(1-pyrrolyl)phenyl]propanoic acid IUPAC Name: 2-(3-chloro-4-pyrrol-1-ylphenyl)propanoic acid Traditional Name: 2-(3-chloro-4-pyrrol-1-yl-phenyl)propionic acid Formula: C13H12ClNO2 MolecularWeight: 249.69288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClNO2/c1-9(13(16)17)10-4-5-12(11(14)8-10)15-6-2-3-7-15/h2-9H,1H3,(H,16,17)