(E)-2-benzamido-3-(1-tert-butyl-3-methyl-5-phenyl-pyrazol-4-yl)prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-(1-tert-butyl-3-methyl-5-phenyl-pyrazol-4-yl)prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-(1-tert-butyl-3-methyl-5-phenyl-pyrazol-4-yl)prop-2-enoic acid CAS Name: (E)-2-benzamido-3-(1-tert-butyl-3-methyl-5-phenyl-4-pyrazolyl)-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-(1-tert-butyl-3-methyl-5-phenylpyrazol-4-yl)prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-(1-tert-butyl-3-methyl-5-phenyl-pyrazol-4-yl)acrylic acid Formula: C24H25N3O3 MolecularWeight: 403.4736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C(=O)O)NC(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C(=O)O)/NC(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C24H25N3O3/c1-16-19(15-20(23(29)30)25-22(28)18-13-9-6-10-14-18)21(17-11-7-5-8-12-17)27(26-16)24(2,3)4/h5-15H,1-4H3,(H,25,28)(H,29,30)/b20-15+