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

Systemtic Name: (E)-3-[5-(azocan-1-yl)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-(azocan-1-yl)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[5-(1-azocanyl)-1,3-dimethyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[5-(azocan-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[5-(azocan-1-yl)-1,3-dimethyl-pyrazol-4-yl]acrylic acid Formula: C15H23N3O2 MolecularWeight: 277.36202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)O)N2CCCCCCC2)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)O)N2CCCCCCC2)C

InChI

InChI=1S/C15H23N3O2/c1-12-13(8-9-14(19)20)15(17(2)16-12)18-10-6-4-3-5-7-11-18/h8-9H,3-7,10-11H2,1-2H3,(H,19,20)/b9-8+