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

Systemtic Name: 2-[4-[[[5-(4-tert-butylphenyl)-2-methyl-pyrazol-3-yl]carbonylamino]methyl]-2-prop-2-enyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[2-allyl-4-[[[5-(4-tert-butylphenyl)-2-methyl-pyrazole-3-carbonyl]amino]methyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[[[5-(4-tert-butylphenyl)-2-methyl-3-pyrazolyl]-oxomethyl]amino]methyl]-2-prop-2-enylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[[[5-(4-tert-butylphenyl)-2-methylpyrazole-3-carbonyl]amino]methyl]-2-prop-2-enylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[2-allyl-4-[[[5-(4-tert-butylphenyl)-2-methyl-pyrazole-3-carbonyl]amino]methyl]phenoxy]-2-methyl-propionic acid Formula: C29H35N3O4 MolecularWeight: 489.6059

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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)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)C

InChI

InChI=1S/C29H35N3O4/c1-8-9-21-16-19(10-15-25(21)36-29(5,6)27(34)35)18-30-26(33)24-17-23(31-32(24)7)20-11-13-22(14-12-20)28(2,3)4/h8,10-17H,1,9,18H2,2-7H3,(H,30,33)(H,34,35)