methyl 5-[[(E)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]oxymethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[(E)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]oxymethyl]furan-2-carboxylate Openeye Name: methyl 5-[[(E)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]prop-2-enoyl]oxymethyl]furan-2-carboxylate CAS Name: 5-[[(E)-3-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-1-oxoprop-2-enoxy]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[(E)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]oxymethyl]furan-2-carboxylate Traditional Name: 5-[[(E)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]acryloyl]oxymethyl]furan-2-carboxylic acid methyl ester Formula: C26H22N2O5 MolecularWeight: 442.46328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)OCC3=CC=C(O3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)OCC3=CC=C(O3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H22N2O5/c1-18-8-10-19(11-9-18)25-20(16-28(27-25)21-6-4-3-5-7-21)12-15-24(29)32-17-22-13-14-23(33-22)26(30)31-2/h3-16H,17H2,1-2H3/b15-12+