5-[2-[(4-tert-butylphenyl)carbamoylamino]phenoxy]-1-phenyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-[2-[(4-tert-butylphenyl)carbamoylamino]phenoxy]-1-phenyl-pyrazole-3-carboxylic acid Openeye Name: 5-[2-[(4-tert-butylphenyl)carbamoylamino]phenoxy]-1-phenyl-pyrazole-3-carboxylic acid CAS Name: 5-[2-[[(4-tert-butylanilino)-oxomethyl]amino]phenoxy]-1-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 5-[2-[(4-tert-butylphenyl)carbamoylamino]phenoxy]-1-phenylpyrazole-3-carboxylic acid Traditional Name: 5-[2-[(4-tert-butylphenyl)carbamoylamino]phenoxy]-1-phenyl-pyrazole-3-carboxylic acid Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2OC3=CC(=NN3C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2OC3=CC(=NN3C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H26N4O4/c1-27(2,3)18-13-15-19(16-14-18)28-26(34)29-21-11-7-8-12-23(21)35-24-17-22(25(32)33)30-31(24)20-9-5-4-6-10-20/h4-17H,1-3H3,(H,32,33)(H2,28,29,34)