3-[2-(3,3-diphenylpropoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-(3,3-diphenylpropoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-(3,3-diphenylpropoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[2-(3,3-diphenylpropoxy)-4-(1-pyrazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-(3,3-diphenylpropoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-(3,3-diphenylpropoxy)-4-(pyrazol-1-ylmethyl)phenyl]propionic acid Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCOC2=C(C=CC(=C2)CN3C=CC=N3)CCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CCOC2=C(C=CC(=C2)CN3C=CC=N3)CCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C28H28N2O3/c31-28(32)15-14-25-13-12-22(21-30-18-7-17-29-30)20-27(25)33-19-16-26(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-13,17-18,20,26H,14-16,19,21H2,(H,31,32)