3-[[2-cyano-4-(4-dibenzofuran-1-ylphenyl)phenyl]amino]propanoic acid

Systemtic Name: 3-[[2-cyano-4-(4-dibenzofuran-1-ylphenyl)phenyl]amino]propanoic acid Openeye Name: 3-[2-cyano-4-(4-dibenzofuran-1-ylphenyl)anilino]propanoic acid CAS Name: 3-[2-cyano-4-[4-(1-dibenzofuranyl)phenyl]anilino]propanoic acid IUPAC Name: 3-[2-cyano-4-(4-dibenzofuran-1-ylphenyl)anilino]propanoic acid Traditional Name: 3-[2-cyano-4-(4-dibenzofuran-1-ylphenyl)anilino]propionic acid Formula: C28H20N2O3 MolecularWeight: 432.47

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(C=CC=C3O2)C4=CC=C(C=C4)C5=CC(=C(C=C5)NCCC(=O)O)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(C=CC=C3O2)C4=CC=C(C=C4)C5=CC(=C(C=C5)NCCC(=O)O)C#N

InChI

InChI=1S/C28H20N2O3/c29-17-21-16-20(12-13-24(21)30-15-14-27(31)32)18-8-10-19(11-9-18)22-5-3-7-26-28(22)23-4-1-2-6-25(23)33-26/h1-13,16,30H,14-15H2,(H,31,32)