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

Systemtic Name: 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[4-(4-chlorophenyl)-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoic acid Formula: C17H12ClN3O2 MolecularWeight: 325.74908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=NC=C2)NC3=CC=C(C=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NC=C2)NC3=CC=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C17H12ClN3O2/c18-13-5-1-11(2-6-13)15-9-10-19-17(21-15)20-14-7-3-12(4-8-14)16(22)23/h1-10H,(H,22,23)(H,19,20,21)