3-[2-(5-phenylpent-1-ynyl)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-(5-phenylpent-1-ynyl)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-(5-phenylpent-1-ynyl)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[2-(5-phenylpent-1-ynyl)-4-(1-pyrazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-(5-phenylpent-1-ynyl)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-(5-phenylpent-1-ynyl)-4-(pyrazol-1-ylmethyl)phenyl]propionic acid Formula: C24H24N2O2 MolecularWeight: 372.45956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC#CC2=C(C=CC(=C2)CN3C=CC=N3)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC#CC2=C(C=CC(=C2)CN3C=CC=N3)CCC(=O)O

InChI

InChI=1S/C24H24N2O2/c27-24(28)15-14-22-13-12-21(19-26-17-7-16-25-26)18-23(22)11-6-2-5-10-20-8-3-1-4-9-20/h1,3-4,7-9,12-13,16-18H,2,5,10,14-15,19H2,(H,27,28)