3-[1-[[4-(2-cyanophenyl)phenyl]methyl]-5-ethyl-pyrrol-3-yl]propanoic acid

Systemtic Name: 3-[1-[[4-(2-cyanophenyl)phenyl]methyl]-5-ethyl-pyrrol-3-yl]propanoic acid Openeye Name: 3-[1-[[4-(2-cyanophenyl)phenyl]methyl]-5-ethyl-pyrrol-3-yl]propanoic acid CAS Name: 3-[1-[[4-(2-cyanophenyl)phenyl]methyl]-5-ethyl-3-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[[4-(2-cyanophenyl)phenyl]methyl]-5-ethylpyrrol-3-yl]propanoic acid Traditional Name: 3-[1-[4-(2-cyanophenyl)benzyl]-5-ethyl-pyrrol-3-yl]propionic acid Formula: C23H22N2O2 MolecularWeight: 358.43298

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CCC(=O)O

Isomeric SMILES

CCC1=CC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CCC(=O)O

InChI

InChI=1S/C23H22N2O2/c1-2-21-13-18(9-12-23(26)27)16-25(21)15-17-7-10-19(11-8-17)22-6-4-3-5-20(22)14-24/h3-8,10-11,13,16H,2,9,12,15H2,1H3,(H,26,27)