3-[5-(4-methylphenyl)-1-phenethyl-pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[5-(4-methylphenyl)-1-phenethyl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-phenethyl-5-(p-tolyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[5-(4-methylphenyl)-1-phenethyl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[5-(4-methylphenyl)-1-phenethylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-phenethyl-5-(p-tolyl)pyrrol-2-yl]propionic acid Formula: C22H23NO2 MolecularWeight: 333.42352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(N2CCC3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(N2CCC3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C22H23NO2/c1-17-7-9-19(10-8-17)21-13-11-20(12-14-22(24)25)23(21)16-15-18-5-3-2-4-6-18/h2-11,13H,12,14-16H2,1H3,(H,24,25)