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

Systemtic Name: (E)-3-[2-(naphthalen-2-ylmethoxymethyl)-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(2-naphthylmethoxymethyl)-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-(2-naphthalenylmethoxymethyl)-4-(1-pyrazolylmethyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(naphthalen-2-ylmethoxymethyl)-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(2-naphthylmethoxymethyl)-4-(pyrazol-1-ylmethyl)phenyl]acrylic acid Formula: C25H22N2O3 MolecularWeight: 398.45378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)COCC3=C(C=CC(=C3)CN4C=CC=N4)C=CC(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)COCC3=C(C=CC(=C3)CN4C=CC=N4)/C=C/C(=O)O

InChI

InChI=1S/C25H22N2O3/c28-25(29)11-10-22-8-6-19(16-27-13-3-12-26-27)14-24(22)18-30-17-20-7-9-21-4-1-2-5-23(21)15-20/h1-15H,16-18H2,(H,28,29)/b11-10+