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

Systemtic Name: 4-(2-methylbutyl)-2-[4-(5-octylpyrimidin-2-yl)phenyl]benzoic acid Openeye Name: 4-(2-methylbutyl)-2-[4-(5-octylpyrimidin-2-yl)phenyl]benzoic acid CAS Name: 4-(2-methylbutyl)-2-[4-(5-octyl-2-pyrimidinyl)phenyl]benzoic acid IUPAC Name: 4-(2-methylbutyl)-2-[4-(5-octylpyrimidin-2-yl)phenyl]benzoic acid Traditional Name: 4-(2-methylbutyl)-2-[4-(5-octylpyrimidin-2-yl)phenyl]benzoic acid Formula: C30H38N2O2 MolecularWeight: 458.63492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=C(C=CC(=C3)CC(C)CC)C(=O)O

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=C(C=CC(=C3)CC(C)CC)C(=O)O

InChI

InChI=1S/C30H38N2O2/c1-4-6-7-8-9-10-11-24-20-31-29(32-21-24)26-15-13-25(14-16-26)28-19-23(18-22(3)5-2)12-17-27(28)30(33)34/h12-17,19-22H,4-11,18H2,1-3H3,(H,33,34)