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

Systemtic Name: 3-[1-[[4-(2-cyanophenyl)phenyl]methyl]-5-hexyl-pyrrol-3-yl]propanoic acid Openeye Name: 3-[1-[[4-(2-cyanophenyl)phenyl]methyl]-5-hexyl-pyrrol-3-yl]propanoic acid CAS Name: 3-[1-[[4-(2-cyanophenyl)phenyl]methyl]-5-hexyl-3-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[[4-(2-cyanophenyl)phenyl]methyl]-5-hexylpyrrol-3-yl]propanoic acid Traditional Name: 3-[1-[4-(2-cyanophenyl)benzyl]-5-hexyl-pyrrol-3-yl]propionic acid Formula: C27H30N2O2 MolecularWeight: 414.5393

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CCC(=O)O

Isomeric SMILES

CCCCCCC1=CC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CCC(=O)O

InChI

InChI=1S/C27H30N2O2/c1-2-3-4-5-9-25-17-22(13-16-27(30)31)20-29(25)19-21-11-14-23(15-12-21)26-10-7-6-8-24(26)18-28/h6-8,10-12,14-15,17,20H,2-5,9,13,16,19H2,1H3,(H,30,31)