3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]propanoic acid

Systemtic Name: 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]propanoic acid Openeye Name: 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]propanoic acid CAS Name: 3-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]propanoic acid IUPAC Name: 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]propanoic acid Traditional Name: 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]propionic acid Formula: C15H17NO2 MolecularWeight: 243.30098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)CCC(=O)O)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)CCC(=O)O)C

InChI

InChI=1S/C15H17NO2/c1-11-3-4-12(2)16(11)14-8-5-13(6-9-14)7-10-15(17)18/h3-6,8-9H,7,10H2,1-2H3,(H,17,18)