(E)-3-[3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-(4-isopropylphenyl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[3,5-dimethyl-1-(4-propan-2-ylphenyl)-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-(3,5-dimethyl-1-p-cumenyl-pyrazol-4-yl)acrylic acid Formula: C17H20N2O2 MolecularWeight: 284.3529

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O2/c1-11(2)14-5-7-15(8-6-14)19-13(4)16(12(3)18-19)9-10-17(20)21/h5-11H,1-4H3,(H,20,21)/b10-9+