2-methyl-2-[2-methyl-4-[[[1-methyl-5-(4-thiophen-2-ylphenyl)pyrazol-3-yl]carbonylamino]methyl]phenoxy]propanoic acid

Systemtic Name: 2-methyl-2-[2-methyl-4-[[[1-methyl-5-(4-thiophen-2-ylphenyl)pyrazol-3-yl]carbonylamino]methyl]phenoxy]propanoic acid Openeye Name: 2-methyl-2-[2-methyl-4-[[[1-methyl-5-[4-(2-thienyl)phenyl]pyrazole-3-carbonyl]amino]methyl]phenoxy]propanoic acid CAS Name: 2-methyl-2-[2-methyl-4-[[[[1-methyl-5-(4-thiophen-2-ylphenyl)-3-pyrazolyl]-oxomethyl]amino]methyl]phenoxy]propanoic acid IUPAC Name: 2-methyl-2-[2-methyl-4-[[[1-methyl-5-(4-thiophen-2-ylphenyl)pyrazole-3-carbonyl]amino]methyl]phenoxy]propanoic acid Traditional Name: 2-methyl-2-[2-methyl-4-[[[1-methyl-5-[4-(2-thienyl)phenyl]pyrazole-3-carbonyl]amino]methyl]phenoxy]propionic acid Formula: C27H27N3O4S MolecularWeight: 489.58598

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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)C4=CC=CS4)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)C4=CC=CS4)C)OC(C)(C)C(=O)O

InChI

InChI=1S/C27H27N3O4S/c1-17-14-18(7-12-23(17)34-27(2,3)26(32)33)16-28-25(31)21-15-22(30(4)29-21)19-8-10-20(11-9-19)24-6-5-13-35-24/h5-15H,16H2,1-4H3,(H,28,31)(H,32,33)