2-(2-fluoranylphenoxy)ethyl 3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: 2-(2-fluoranylphenoxy)ethyl 3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: 2-(2-fluorophenoxy)ethyl 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid 2-(2-fluorophenoxy)ethyl ester IUPAC Name: 2-(2-fluorophenoxy)ethyl 3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]acrylic acid 2-(2-fluorophenoxy)ethyl ester Formula: C28H21FN2O4 MolecularWeight: 468.475743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=CC(=O)OCCOC5=CC=CC=C5F

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=CC(=O)OCCOC5=CC=CC=C5F

InChI

InChI=1S/C28H21FN2O4/c29-23-11-5-7-13-25(23)33-16-17-34-27(32)15-14-21-19-31(22-9-2-1-3-10-22)30-28(21)26-18-20-8-4-6-12-24(20)35-26/h1-15,18-19H,16-17H2