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

Systemtic Name: 3-[2-[2-(4-phenylphenyl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-[2-(4-phenylphenyl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[2-[2-(4-phenylphenyl)ethoxy]-4-(1-pyrazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[2-(4-phenylphenyl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-[2-(4-phenylphenyl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propionic acid Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CCOC3=C(C=CC(=C3)CN4C=CC=N4)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CCOC3=C(C=CC(=C3)CN4C=CC=N4)CCC(=O)O

InChI

InChI=1S/C27H26N2O3/c30-27(31)14-13-25-12-9-22(20-29-17-4-16-28-29)19-26(25)32-18-15-21-7-10-24(11-8-21)23-5-2-1-3-6-23/h1-12,16-17,19H,13-15,18,20H2,(H,30,31)