4-(2-methylbutyl)-2-[4-(5-propylpyrimidin-2-yl)phenyl]benzoic acid

Systemtic Name: 4-(2-methylbutyl)-2-[4-(5-propylpyrimidin-2-yl)phenyl]benzoic acid Openeye Name: 4-(2-methylbutyl)-2-[4-(5-propylpyrimidin-2-yl)phenyl]benzoic acid CAS Name: 4-(2-methylbutyl)-2-[4-(5-propyl-2-pyrimidinyl)phenyl]benzoic acid IUPAC Name: 4-(2-methylbutyl)-2-[4-(5-propylpyrimidin-2-yl)phenyl]benzoic acid Traditional Name: 4-(2-methylbutyl)-2-[4-(5-propylpyrimidin-2-yl)phenyl]benzoic acid Formula: C25H28N2O2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=C(C=CC(=C3)CC(C)CC)C(=O)O

Isomeric SMILES

CCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=C(C=CC(=C3)CC(C)CC)C(=O)O

InChI

InChI=1S/C25H28N2O2/c1-4-6-19-15-26-24(27-16-19)21-10-8-20(9-11-21)23-14-18(13-17(3)5-2)7-12-22(23)25(28)29/h7-12,14-17H,4-6,13H2,1-3H3,(H,28,29)