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

Systemtic Name: [4-(2-methylbutyl)phenyl] 4-(5-dodecylpyrimidin-2-yl)benzoate Openeye Name: [4-(2-methylbutyl)phenyl] 4-(5-dodecylpyrimidin-2-yl)benzoate CAS Name: 4-(5-dodecyl-2-pyrimidinyl)benzoic acid [4-(2-methylbutyl)phenyl] ester IUPAC Name: [4-(2-methylbutyl)phenyl] 4-(5-dodecylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-laurylpyrimidin-2-yl)benzoic acid [4-(2-methylbutyl)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)C(=O)OC3=CC=C(C=C3)CC(C)CC

Isomeric SMILES

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=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)30-18-20-31(21-19-30)34(37)38-32-22-16-28(17-23-32)24-27(3)5-2/h16-23,25-27H,4-15,24H2,1-3H3