3-[3-(2-ethyl-3,5-diphenyl-pyrrol-1-yl)phenyl]propanoic acid

Systemtic Name: 3-[3-(2-ethyl-3,5-diphenyl-pyrrol-1-yl)phenyl]propanoic acid Openeye Name: 3-[3-(2-ethyl-3,5-diphenyl-pyrrol-1-yl)phenyl]propanoic acid CAS Name: 3-[3-(2-ethyl-3,5-diphenyl-1-pyrrolyl)phenyl]propanoic acid IUPAC Name: 3-[3-(2-ethyl-3,5-diphenylpyrrol-1-yl)phenyl]propanoic acid Traditional Name: 3-[3-(2-ethyl-3,5-diphenyl-pyrrol-1-yl)phenyl]propionic acid Formula: C27H25NO2 MolecularWeight: 395.4929

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(N1C2=CC=CC(=C2)CCC(=O)O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC1=C(C=C(N1C2=CC=CC(=C2)CCC(=O)O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H25NO2/c1-2-25-24(21-11-5-3-6-12-21)19-26(22-13-7-4-8-14-22)28(25)23-15-9-10-20(18-23)16-17-27(29)30/h3-15,18-19H,2,16-17H2,1H3,(H,29,30)