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

Systemtic Name: 3-[3-[3-tert-butyl-5-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]phenyl]propanoic acid Openeye Name: 3-[3-[3-tert-butyl-5-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]phenyl]propanoic acid CAS Name: 3-[3-[3-tert-butyl-5-[[(4-chloroanilino)-oxomethyl]amino]-1-pyrazolyl]phenyl]propanoic acid IUPAC Name: 3-[3-[3-tert-butyl-5-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]phenyl]propanoic acid Traditional Name: 3-[3-[3-tert-butyl-5-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]phenyl]propionic acid Formula: C23H25ClN4O3 MolecularWeight: 440.9226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)Cl)C3=CC=CC(=C3)CCC(=O)O

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)Cl)C3=CC=CC(=C3)CCC(=O)O

InChI

InChI=1S/C23H25ClN4O3/c1-23(2,3)19-14-20(26-22(31)25-17-10-8-16(24)9-11-17)28(27-19)18-6-4-5-15(13-18)7-12-21(29)30/h4-6,8-11,13-14H,7,12H2,1-3H3,(H,29,30)(H2,25,26,31)