tert-butyl 4-[[(Z)-2-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)ethenoxy]methyl]benzoate

Systemtic Name: tert-butyl 4-[[(Z)-2-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)ethenoxy]methyl]benzoate Openeye Name: tert-butyl 4-[[(Z)-2-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)vinyloxy]methyl]benzoate CAS Name: 4-[[(Z)-2-(1,3-dimethyl-5-phenoxy-4-pyrazolyl)ethenoxy]methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(Z)-2-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethenoxy]methyl]benzoate Traditional Name: 4-[[(Z)-2-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)vinyloxy]methyl]benzoic acid tert-butyl ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=COCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C(=C1/C=C\OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C

InChI

InChI=1S/C25H28N2O4/c1-18-22(23(27(5)26-18)30-21-9-7-6-8-10-21)15-16-29-17-19-11-13-20(14-12-19)24(28)31-25(2,3)4/h6-16H,17H2,1-5H3/b16-15-