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

Systemtic Name: [4-(5-dodecylpyrimidin-2-yl)phenyl] 4-(2-methylbutyl)benzoate Openeye Name: [4-(5-dodecylpyrimidin-2-yl)phenyl] 4-(2-methylbutyl)benzoate CAS Name: 4-(2-methylbutyl)benzoic acid [4-(5-dodecyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-dodecylpyrimidin-2-yl)phenyl] 4-(2-methylbutyl)benzoate Traditional Name: 4-(2-methylbutyl)benzoic acid [4-(5-laurylpyrimidin-2-yl)phenyl] ester Formula: C34H46N2O2 MolecularWeight: 514.74124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CC(C)CC

Isomeric SMILES

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CC(C)CC

InChI

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