methyl 3-[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]oxymethyl]benzoate

Systemtic Name: methyl 3-[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]oxymethyl]benzoate Openeye Name: methyl 3-[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]oxymethyl]benzoate CAS Name: 3-[[(E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoprop-2-enoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]oxymethyl]benzoate Traditional Name: 3-[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acryloyl]oxymethyl]benzoic acid methyl ester Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)OCC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)OCC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C23H22N2O4/c1-16-21(17(2)25(24-16)20-10-5-4-6-11-20)12-13-22(26)29-15-18-8-7-9-19(14-18)23(27)28-3/h4-14H,15H2,1-3H3/b13-12+