(E)-3-[2-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-(3-phenylpropyl)-4-(1-pyrazolylmethyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)phenyl]acrylic acid Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2=C(C=CC(=C2)CN3C=CC=N3)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC2=C(C=CC(=C2)CN3C=CC=N3)/C=C/C(=O)O

InChI

InChI=1S/C22H22N2O2/c25-22(26)13-12-20-11-10-19(17-24-15-5-14-23-24)16-21(20)9-4-8-18-6-2-1-3-7-18/h1-3,5-7,10-16H,4,8-9,17H2,(H,25,26)/b13-12+