(E)-3-[3-(5-azanyl-3-tert-butyl-pyrazol-1-yl)phenyl]-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-[3-(5-azanyl-3-tert-butyl-pyrazol-1-yl)phenyl]-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-[3-(5-amino-3-tert-butyl-pyrazol-1-yl)phenyl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[3-(5-amino-3-tert-butyl-1-pyrazolyl)phenyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[3-(5-amino-3-tert-butylpyrazol-1-yl)phenyl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[3-(5-amino-3-tert-butyl-pyrazol-1-yl)phenyl]-2-methyl-acrylic acid Formula: C17H21N3O2 MolecularWeight: 299.36754

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)N)C(=O)O

Isomeric SMILES

C/C(=C\C1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)N)/C(=O)O

InChI

InChI=1S/C17H21N3O2/c1-11(16(21)22)8-12-6-5-7-13(9-12)20-15(18)10-14(19-20)17(2,3)4/h5-10H,18H2,1-4H3,(H,21,22)/b11-8+