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

Systemtic Name: 2-(4-chloranylphenoxy)ethyl 3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: 2-(4-chlorophenoxy)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-(4-chlorophenoxy)ethyl ester IUPAC Name: 2-(4-chlorophenoxy)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-(4-chlorophenoxy)ethyl ester Formula: C28H21ClN2O4 MolecularWeight: 484.93034

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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=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=CC(=O)OCCOC5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H21ClN2O4/c29-22-11-13-24(14-12-22)33-16-17-34-27(32)15-10-21-19-31(23-7-2-1-3-8-23)30-28(21)26-18-20-6-4-5-9-25(20)35-26/h1-15,18-19H,16-17H2