2-tert-butyl-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 2-tert-butyl-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoic acid Openeye Name: 2-tert-butyl-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoic acid CAS Name: 2-tert-butyl-4-[[4-(4-chlorophenyl)-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 2-tert-butyl-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoic acid Traditional Name: 2-tert-butyl-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoic acid Formula: C21H20ClN3O2 MolecularWeight: 381.8554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)NC2=NC=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)NC2=NC=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C21H20ClN3O2/c1-21(2,3)17-12-15(8-9-16(17)19(26)27)24-20-23-11-10-18(25-20)13-4-6-14(22)7-5-13/h4-12H,1-3H3,(H,26,27)(H,23,24,25)