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

Systemtic Name: (E)-3-[5-(dibutylamino)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-(dibutylamino)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[5-(dibutylamino)-1,3-dimethyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[5-(dibutylamino)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[5-(dibutylamino)-1,3-dimethyl-pyrazol-4-yl]acrylic acid Formula: C16H27N3O2 MolecularWeight: 293.40448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=C(C(=NN1C)C)C=CC(=O)O

Isomeric SMILES

CCCCN(CCCC)C1=C(C(=NN1C)C)/C=C/C(=O)O

InChI

InChI=1S/C16H27N3O2/c1-5-7-11-19(12-8-6-2)16-14(9-10-15(20)21)13(3)17-18(16)4/h9-10H,5-8,11-12H2,1-4H3,(H,20,21)/b10-9+