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

Systemtic Name: (E)-3-[2-(2-oxidanyl-3-phenoxy-propoxy)-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(2-hydroxy-3-phenoxy-propoxy)-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-(2-hydroxy-3-phenoxypropoxy)-4-(1-pyrazolylmethyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(2-hydroxy-3-phenoxypropoxy)-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(2-hydroxy-3-phenoxy-propoxy)-4-(pyrazol-1-ylmethyl)phenyl]acrylic acid Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(COC2=C(C=CC(=C2)CN3C=CC=N3)C=CC(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC(COC2=C(C=CC(=C2)CN3C=CC=N3)/C=C/C(=O)O)O

InChI

InChI=1S/C22H22N2O5/c25-19(15-28-20-5-2-1-3-6-20)16-29-21-13-17(14-24-12-4-11-23-24)7-8-18(21)9-10-22(26)27/h1-13,19,25H,14-16H2,(H,26,27)/b10-9+