2-[4-[[[5-(4-tert-butylphenyl)-2-prop-2-enyl-pyrazol-3-yl]carbonylamino]methyl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[[[5-(4-tert-butylphenyl)-2-prop-2-enyl-pyrazol-3-yl]carbonylamino]methyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[[[2-allyl-5-(4-tert-butylphenyl)pyrazole-3-carbonyl]amino]methyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[[[5-(4-tert-butylphenyl)-2-prop-2-enyl-3-pyrazolyl]-oxomethyl]amino]methyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[[[5-(4-tert-butylphenyl)-2-prop-2-enylpyrazole-3-carbonyl]amino]methyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[[[2-allyl-5-(4-tert-butylphenyl)pyrazole-3-carbonyl]amino]methyl]phenoxy]-2-methyl-propionic acid Formula: C28H33N3O4 MolecularWeight: 475.57932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)NCC3=CC=C(C=C3)OC(C)(C)C(=O)O)CC=C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)NCC3=CC=C(C=C3)OC(C)(C)C(=O)O)CC=C

InChI

InChI=1S/C28H33N3O4/c1-7-16-31-24(17-23(30-31)20-10-12-21(13-11-20)27(2,3)4)25(32)29-18-19-8-14-22(15-9-19)35-28(5,6)26(33)34/h7-15,17H,1,16,18H2,2-6H3,(H,29,32)(H,33,34)