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

Systemtic Name: 3-[1-[[4-(2-cyanophenyl)phenyl]methyl]-5-propyl-pyrrol-3-yl]propanoic acid Openeye Name: 3-[1-[[4-(2-cyanophenyl)phenyl]methyl]-5-propyl-pyrrol-3-yl]propanoic acid CAS Name: 3-[1-[[4-(2-cyanophenyl)phenyl]methyl]-5-propyl-3-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[[4-(2-cyanophenyl)phenyl]methyl]-5-propylpyrrol-3-yl]propanoic acid Traditional Name: 3-[1-[4-(2-cyanophenyl)benzyl]-5-propyl-pyrrol-3-yl]propionic acid Formula: C24H24N2O2 MolecularWeight: 372.45956

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CCC(=O)O

Isomeric SMILES

CCCC1=CC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CCC(=O)O

InChI

InChI=1S/C24H24N2O2/c1-2-5-22-14-19(10-13-24(27)28)17-26(22)16-18-8-11-20(12-9-18)23-7-4-3-6-21(23)15-25/h3-4,6-9,11-12,14,17H,2,5,10,13,16H2,1H3,(H,27,28)