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

Systemtic Name: (E)-3-[2-(2-naphthalen-1-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-[2-(1-naphthyl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-[2-(1-naphthalenyl)ethoxy]-4-(1-pyrazolylmethyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(2-naphthalen-1-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-[2-(1-naphthyl)ethoxy]-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(=C1)C=CC=C2CCOC3=C(C=CC(=C3)CN4C=CC=N4)C=CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CCOC3=C(C=CC(=C3)CN4C=CC=N4)/C=C/C(=O)O

InChI

InChI=1S/C25H22N2O3/c28-25(29)12-11-22-10-9-19(18-27-15-4-14-26-27)17-24(22)30-16-13-21-7-3-6-20-5-1-2-8-23(20)21/h1-12,14-15,17H,13,16,18H2,(H,28,29)/b12-11+