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

Systemtic Name: (E)-3-[2-(2-naphthalen-2-yloxyethyl)-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-[2-(2-naphthyloxy)ethyl]-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-[2-(2-naphthalenyloxy)ethyl]-4-(1-pyrazolylmethyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(2-naphthalen-2-yloxyethyl)-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-[2-(2-naphthoxy)ethyl]-4-(pyrazol-1-ylmethyl)phenyl]acrylic acid Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)OCCC3=C(C=CC(=C3)CN4C=CC=N4)C=CC(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)OCCC3=C(C=CC(=C3)CN4C=CC=N4)/C=C/C(=O)O

InChI

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