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

Systemtic Name: (E)-3-[2-(2-naphthalen-2-ylpropoxy)-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-[2-(2-naphthyl)propoxy]-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-[2-(2-naphthalenyl)propoxy]-4-(1-pyrazolylmethyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(2-naphthalen-2-ylpropoxy)-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-[2-(2-naphthyl)propoxy]-4-(pyrazol-1-ylmethyl)phenyl]acrylic acid Formula: C26H24N2O3 MolecularWeight: 412.48036

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=C(C=CC(=C1)CN2C=CC=N2)C=CC(=O)O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(COC1=C(C=CC(=C1)CN2C=CC=N2)/C=C/C(=O)O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H24N2O3/c1-19(23-10-9-21-5-2-3-6-24(21)16-23)18-31-25-15-20(17-28-14-4-13-27-28)7-8-22(25)11-12-26(29)30/h2-16,19H,17-18H2,1H3,(H,29,30)/b12-11+