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

Systemtic Name: 4-(2-methylbutyl)-2-[4-(5-undecylpyrimidin-2-yl)phenyl]benzoic acid Openeye Name: 4-(2-methylbutyl)-2-[4-(5-undecylpyrimidin-2-yl)phenyl]benzoic acid CAS Name: 4-(2-methylbutyl)-2-[4-(5-undecyl-2-pyrimidinyl)phenyl]benzoic acid IUPAC Name: 4-(2-methylbutyl)-2-[4-(5-undecylpyrimidin-2-yl)phenyl]benzoic acid Traditional Name: 4-(2-methylbutyl)-2-[4-(5-undecylpyrimidin-2-yl)phenyl]benzoic acid Formula: C33H44N2O2 MolecularWeight: 500.71466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=C(C=CC(=C3)CC(C)CC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=C(C=CC(=C3)CC(C)CC)C(=O)O

InChI

InChI=1S/C33H44N2O2/c1-4-6-7-8-9-10-11-12-13-14-27-23-34-32(35-24-27)29-18-16-28(17-19-29)31-22-26(21-25(3)5-2)15-20-30(31)33(36)37/h15-20,22-25H,4-14,21H2,1-3H3,(H,36,37)