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

Systemtic Name: (E)-3-[5-(2-aminocarbonylpyrrolidin-1-yl)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-(2-carbamoylpyrrolidin-1-yl)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[5-(2-carbamoyl-1-pyrrolidinyl)-1,3-dimethyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[5-(2-carbamoylpyrrolidin-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[5-(2-carbamoylpyrrolidino)-1,3-dimethyl-pyrazol-4-yl]acrylic acid Formula: C13H18N4O3 MolecularWeight: 278.30702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)O)N2CCCC2C(=O)N)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)O)N2CCCC2C(=O)N)C

InChI

InChI=1S/C13H18N4O3/c1-8-9(5-6-11(18)19)13(16(2)15-8)17-7-3-4-10(17)12(14)20/h5-6,10H,3-4,7H2,1-2H3,(H2,14,20)(H,18,19)/b6-5+