2-[4-(5-dodecylpyrimidin-2-yl)phenyl]-4-(2-methylbutyl)benzoate

Systemtic Name: 2-[4-(5-dodecylpyrimidin-2-yl)phenyl]-4-(2-methylbutyl)benzoate Openeye Name: 2-[4-(5-dodecylpyrimidin-2-yl)phenyl]-4-(2-methylbutyl)benzoate CAS Name: 2-[4-(5-dodecyl-2-pyrimidinyl)phenyl]-4-(2-methylbutyl)benzoate IUPAC Name: 2-[4-(5-dodecylpyrimidin-2-yl)phenyl]-4-(2-methylbutyl)benzoate Traditional Name: 2-[4-(5-laurylpyrimidin-2-yl)phenyl]-4-(2-methylbutyl)benzoate Formula: C34H45N2O2- MolecularWeight: 513.7333

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=C(C=CC(=C3)CC(C)CC)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=C(C=CC(=C3)CC(C)CC)C(=O)[O-]

InChI

InChI=1S/C34H46N2O2/c1-4-6-7-8-9-10-11-12-13-14-15-28-24-35-33(36-25-28)30-19-17-29(18-20-30)32-23-27(22-26(3)5-2)16-21-31(32)34(37)38/h16-21,23-26H,4-15,22H2,1-3H3,(H,37,38)/p-1