3-[2-phenethyl-5-[4-[2-(phenylmethyl)-1-benzofuran-3-yl]phenyl]benzimidazol-1-yl]propanoic acid

Systemtic Name: 3-[2-phenethyl-5-[4-[2-(phenylmethyl)-1-benzofuran-3-yl]phenyl]benzimidazol-1-yl]propanoic acid Openeye Name: 3-[5-[4-(2-benzylbenzofuran-3-yl)phenyl]-2-phenethyl-benzimidazol-1-yl]propanoic acid CAS Name: 3-[2-phenethyl-5-[4-[2-(phenylmethyl)-3-benzofuranyl]phenyl]-1-benzimidazolyl]propanoic acid IUPAC Name: 3-[5-[4-(2-benzyl-1-benzofuran-3-yl)phenyl]-2-phenethylbenzimidazol-1-yl]propanoic acid Traditional Name: 3-[5-[4-(2-benzylbenzofuran-3-yl)phenyl]-2-phenethyl-benzimidazol-1-yl]propionic acid Formula: C39H32N2O3 MolecularWeight: 576.68298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NC3=C(N2CCC(=O)O)C=CC(=C3)C4=CC=C(C=C4)C5=C(OC6=CC=CC=C65)CC7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NC3=C(N2CCC(=O)O)C=CC(=C3)C4=CC=C(C=C4)C5=C(OC6=CC=CC=C65)CC7=CC=CC=C7

InChI

InChI=1S/C39H32N2O3/c42-38(43)23-24-41-34-21-20-31(26-33(34)40-37(41)22-15-27-9-3-1-4-10-27)29-16-18-30(19-17-29)39-32-13-7-8-14-35(32)44-36(39)25-28-11-5-2-6-12-28/h1-14,16-21,26H,15,22-25H2,(H,42,43)