3-[3-[3-tert-butyl-5-[(4-chlorophenyl)carbonylamino]pyrazol-1-yl]phenyl]propanoic acid

Systemtic Name: 3-[3-[3-tert-butyl-5-[(4-chlorophenyl)carbonylamino]pyrazol-1-yl]phenyl]propanoic acid Openeye Name: 3-[3-[3-tert-butyl-5-[(4-chlorobenzoyl)amino]pyrazol-1-yl]phenyl]propanoic acid CAS Name: 3-[3-[3-tert-butyl-5-[[(4-chlorophenyl)-oxomethyl]amino]-1-pyrazolyl]phenyl]propanoic acid IUPAC Name: 3-[3-[3-tert-butyl-5-[(4-chlorobenzoyl)amino]pyrazol-1-yl]phenyl]propanoic acid Traditional Name: 3-[3-[3-tert-butyl-5-[(4-chlorobenzoyl)amino]pyrazol-1-yl]phenyl]propionic acid Formula: C23H24ClN3O3 MolecularWeight: 425.90796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)Cl)C3=CC=CC(=C3)CCC(=O)O

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)Cl)C3=CC=CC(=C3)CCC(=O)O

InChI

InChI=1S/C23H24ClN3O3/c1-23(2,3)19-14-20(25-22(30)16-8-10-17(24)11-9-16)27(26-19)18-6-4-5-15(13-18)7-12-21(28)29/h4-6,8-11,13-14H,7,12H2,1-3H3,(H,25,30)(H,28,29)