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

Systemtic Name: (E)-3-[2-(2-methoxy-3-phenoxy-propoxy)-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(2-methoxy-3-phenoxy-propoxy)-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-(2-methoxy-3-phenoxypropoxy)-4-(1-pyrazolylmethyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(2-methoxy-3-phenoxypropoxy)-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(2-methoxy-3-phenoxy-propoxy)-4-(pyrazol-1-ylmethyl)phenyl]acrylic acid Formula: C23H24N2O5 MolecularWeight: 408.44706

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Descriptors Computed from Structure

Canonical SMILES:

COC(COC1=CC=CC=C1)COC2=C(C=CC(=C2)CN3C=CC=N3)C=CC(=O)O

Isomeric SMILES

COC(COC1=CC=CC=C1)COC2=C(C=CC(=C2)CN3C=CC=N3)/C=C/C(=O)O

InChI

InChI=1S/C23H24N2O5/c1-28-21(16-29-20-6-3-2-4-7-20)17-30-22-14-18(15-25-13-5-12-24-25)8-9-19(22)10-11-23(26)27/h2-14,21H,15-17H2,1H3,(H,26,27)/b11-10+