2-[4-[[[5-(4-tert-butylphenyl)-1-prop-2-enyl-pyrazol-3-yl]carbonylamino]methyl]-2-methyl-phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[[[5-(4-tert-butylphenyl)-1-prop-2-enyl-pyrazol-3-yl]carbonylamino]methyl]-2-methyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[[[1-allyl-5-(4-tert-butylphenyl)pyrazole-3-carbonyl]amino]methyl]-2-methyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[[[5-(4-tert-butylphenyl)-1-prop-2-enyl-3-pyrazolyl]-oxomethyl]amino]methyl]-2-methylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[[[5-(4-tert-butylphenyl)-1-prop-2-enylpyrazole-3-carbonyl]amino]methyl]-2-methylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[[[1-allyl-5-(4-tert-butylphenyl)pyrazole-3-carbonyl]amino]methyl]-2-methyl-phenoxy]-2-methyl-propionic acid Formula: C29H35N3O4 MolecularWeight: 489.6059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)C2=NN(C(=C2)C3=CC=C(C=C3)C(C)(C)C)CC=C)OC(C)(C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)C2=NN(C(=C2)C3=CC=C(C=C3)C(C)(C)C)CC=C)OC(C)(C)C(=O)O

InChI

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