2-[2-methyl-5-propyl-4-[[4-[(2-sulfophenyl)carbonylamino]phenyl]methyl]pyrazol-3-yl]oxyethanoic acid

Systemtic Name: 2-[2-methyl-5-propyl-4-[[4-[(2-sulfophenyl)carbonylamino]phenyl]methyl]pyrazol-3-yl]oxyethanoic acid Openeye Name: 2-[2-methyl-5-propyl-4-[[4-[(2-sulfobenzoyl)amino]phenyl]methyl]pyrazol-3-yl]oxyacetic acid CAS Name: 2-[[2-methyl-4-[[4-[[oxo-(2-sulfophenyl)methyl]amino]phenyl]methyl]-5-propyl-3-pyrazolyl]oxy]acetic acid IUPAC Name: 2-[2-methyl-5-propyl-4-[[4-[(2-sulfobenzoyl)amino]phenyl]methyl]pyrazol-3-yl]oxyacetic acid Traditional Name: 2-[2-methyl-5-propyl-4-[4-[(2-sulfobenzoyl)amino]benzyl]pyrazol-3-yl]oxyacetic acid Formula: C23H25N3O7S MolecularWeight: 487.5255

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O)OCC(=O)O)C

Isomeric SMILES

CCCC1=NN(C(=C1CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O)OCC(=O)O)C

InChI

InChI=1S/C23H25N3O7S/c1-3-6-19-18(23(26(2)25-19)33-14-21(27)28)13-15-9-11-16(12-10-15)24-22(29)17-7-4-5-8-20(17)34(30,31)32/h4-5,7-12H,3,6,13-14H2,1-2H3,(H,24,29)(H,27,28)(H,30,31,32)