3-[3-[3-tert-butyl-5-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]phenyl]-2-methyl-propanoic acid

Systemtic Name: 3-[3-[3-tert-butyl-5-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]phenyl]-2-methyl-propanoic acid Openeye Name: 3-[3-[3-tert-butyl-5-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]phenyl]-2-methyl-propanoic acid CAS Name: 3-[3-[3-tert-butyl-5-[[(4-chloroanilino)-oxomethyl]amino]-1-pyrazolyl]phenyl]-2-methylpropanoic acid IUPAC Name: 3-[3-[3-tert-butyl-5-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]phenyl]-2-methylpropanoic acid Traditional Name: 3-[3-[3-tert-butyl-5-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]phenyl]-2-methyl-propionic acid Formula: C24H27ClN4O3 MolecularWeight: 454.94918

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC(CC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C24H27ClN4O3/c1-15(22(30)31)12-16-6-5-7-19(13-16)29-21(14-20(28-29)24(2,3)4)27-23(32)26-18-10-8-17(25)9-11-18/h5-11,13-15H,12H2,1-4H3,(H,30,31)(H2,26,27,32)