tert-butyl (E)-3-[3-[(E)-2-(4-tert-butylphenyl)ethenyl]-2-pyrazol-1-yl-phenyl]prop-2-enoate

Systemtic Name: tert-butyl (E)-3-[3-[(E)-2-(4-tert-butylphenyl)ethenyl]-2-pyrazol-1-yl-phenyl]prop-2-enoate Openeye Name: tert-butyl (E)-3-[3-[(E)-2-(4-tert-butylphenyl)vinyl]-2-pyrazol-1-yl-phenyl]prop-2-enoate CAS Name: (E)-3-[3-[(E)-2-(4-tert-butylphenyl)ethenyl]-2-(1-pyrazolyl)phenyl]-2-propenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-3-[3-[(E)-2-(4-tert-butylphenyl)ethenyl]-2-pyrazol-1-ylphenyl]prop-2-enoate Traditional Name: (E)-3-[3-[(E)-2-(4-tert-butylphenyl)vinyl]-2-pyrazol-1-yl-phenyl]acrylic acid tert-butyl ester Formula: C28H32N2O2 MolecularWeight: 428.56588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=CC2=C(C(=CC=C2)C=CC(=O)OC(C)(C)C)N3C=CC=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C/C2=C(C(=CC=C2)/C=C/C(=O)OC(C)(C)C)N3C=CC=N3

InChI

InChI=1S/C28H32N2O2/c1-27(2,3)24-16-12-21(13-17-24)11-14-22-9-7-10-23(26(22)30-20-8-19-29-30)15-18-25(31)32-28(4,5)6/h7-20H,1-6H3/b14-11+,18-15+