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

Systemtic Name: 2-phenoxyethyl 3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: 2-phenoxyethyl 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-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 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-phenoxyethyl ester Formula: C28H22N2O4 MolecularWeight: 450.48528

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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=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H22N2O4/c31-27(33-18-17-32-24-12-5-2-6-13-24)16-15-22-20-30(23-10-3-1-4-11-23)29-28(22)26-19-21-9-7-8-14-25(21)34-26/h1-16,19-20H,17-18H2