2-[4-[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]phenoxy]acetic acid CAS Name: 2-[4-[(E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoprop-2-enyl]phenoxy]acetic acid IUPAC Name: 2-[4-[(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenoxy]acetic acid Traditional Name: 2-[4-[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acryloyl]phenoxy]acetic acid Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)C3=CC=C(C=C3)OCC(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)C3=CC=C(C=C3)OCC(=O)O

InChI

InChI=1S/C22H20N2O4/c1-15-20(16(2)24(23-15)18-6-4-3-5-7-18)12-13-21(25)17-8-10-19(11-9-17)28-14-22(26)27/h3-13H,14H2,1-2H3,(H,26,27)/b13-12+