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

Systemtic Name: (4-bromophenyl)methyl 3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (4-bromophenyl)methyl 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 (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 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 (4-bromobenzyl) ester Formula: C27H19BrN2O3 MolecularWeight: 499.35536

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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)OCC5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=CC(=O)OCC5=CC=C(C=C5)Br

InChI

InChI=1S/C27H19BrN2O3/c28-22-13-10-19(11-14-22)18-32-26(31)15-12-21-17-30(23-7-2-1-3-8-23)29-27(21)25-16-20-6-4-5-9-24(20)33-25/h1-17H,18H2