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

Systemtic Name: 4-(2-methylbutyl)-2-[4-(5-nonylpyrimidin-2-yl)phenyl]benzoic acid Openeye Name: 4-(2-methylbutyl)-2-[4-(5-nonylpyrimidin-2-yl)phenyl]benzoic acid CAS Name: 4-(2-methylbutyl)-2-[4-(5-nonyl-2-pyrimidinyl)phenyl]benzoic acid IUPAC Name: 4-(2-methylbutyl)-2-[4-(5-nonylpyrimidin-2-yl)phenyl]benzoic acid Traditional Name: 4-(2-methylbutyl)-2-[4-(5-nonylpyrimidin-2-yl)phenyl]benzoic acid Formula: C31H40N2O2 MolecularWeight: 472.6615

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=C(C=CC(=C3)CC(C)CC)C(=O)O

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=C(C=CC(=C3)CC(C)CC)C(=O)O

InChI

InChI=1S/C31H40N2O2/c1-4-6-7-8-9-10-11-12-25-21-32-30(33-22-25)27-16-14-26(15-17-27)29-20-24(19-23(3)5-2)13-18-28(29)31(34)35/h13-18,20-23H,4-12,19H2,1-3H3,(H,34,35)