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

Systemtic Name: (4-tert-butylphenyl)methyl 3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (4-tert-butylphenyl)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-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)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-tert-butylbenzyl) ester Formula: C31H28N2O3 MolecularWeight: 476.56562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C=CC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C=CC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5

InChI

InChI=1S/C31H28N2O3/c1-31(2,3)25-16-13-22(14-17-25)21-35-29(34)18-15-24-20-33(26-10-5-4-6-11-26)32-30(24)28-19-23-9-7-8-12-27(23)36-28/h4-20H,21H2,1-3H3