(E)-3-[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(1-adamantyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]acrylic acid Formula: C22H24N2O2 MolecularWeight: 348.43816

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C=CC(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4/C=C/C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C22H24N2O2/c25-20(26)7-6-18-14-24(19-4-2-1-3-5-19)23-21(18)22-11-15-8-16(12-22)10-17(9-15)13-22/h1-7,14-17H,8-13H2,(H,25,26)/b7-6+