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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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