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

Systemtic Name: [2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(benzofuran-2-yl)-2-oxo-ethyl] 3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enoate CAS Name: 3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]-2-propenoic acid [2-(2-benzofuranyl)-2-oxoethyl] ester IUPAC Name: [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoate Traditional Name: 3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]acrylic acid [2-(benzofuran-2-yl)-2-keto-ethyl] ester Formula: C27H19N3O4 MolecularWeight: 449.45746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C=CC(=O)OCC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C=CC(=O)OCC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C27H19N3O4/c31-23(25-15-19-7-4-5-11-24(19)34-25)18-33-26(32)13-12-21-17-30(22-9-2-1-3-10-22)29-27(21)20-8-6-14-28-16-20/h1-17H,18H2