(2,3,6-trimethylphenyl) 2-(1-phenylpyrazol-4-yl)ethanoate

Systemtic Name: (2,3,6-trimethylphenyl) 2-(1-phenylpyrazol-4-yl)ethanoate Openeye Name: (2,3,6-trimethylphenyl) 2-(1-phenylpyrazol-4-yl)acetate CAS Name: 2-(1-phenyl-4-pyrazolyl)acetic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 2-(1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(1-phenylpyrazol-4-yl)acetic acid (2,3,6-trimethylphenyl) ester Formula: C20H20N2O2 MolecularWeight: 320.385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)CC2=CN(N=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)CC2=CN(N=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H20N2O2/c1-14-9-10-15(2)20(16(14)3)24-19(23)11-17-12-21-22(13-17)18-7-5-4-6-8-18/h4-10,12-13H,11H2,1-3H3