3-[2-[2-(benzimidazol-1-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-[2-(benzimidazol-1-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-[2-(benzimidazol-1-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[2-[2-(1-benzimidazolyl)ethoxy]-4-(1-pyrazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[2-(benzimidazol-1-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-[2-(benzimidazol-1-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propionic acid Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2CCOC3=C(C=CC(=C3)CN4C=CC=N4)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2CCOC3=C(C=CC(=C3)CN4C=CC=N4)CCC(=O)O

InChI

InChI=1S/C22H22N4O3/c27-22(28)9-8-18-7-6-17(15-26-11-3-10-24-26)14-21(18)29-13-12-25-16-23-19-4-1-2-5-20(19)25/h1-7,10-11,14,16H,8-9,12-13,15H2,(H,27,28)