[4-[5-(2-methylbutoxy)pyrimidin-2-yl]phenyl] dodecanoate

Systemtic Name: [4-[5-(2-methylbutoxy)pyrimidin-2-yl]phenyl] dodecanoate Openeye Name: [4-[5-(2-methylbutoxy)pyrimidin-2-yl]phenyl] dodecanoate CAS Name: dodecanoic acid [4-[5-(2-methylbutoxy)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(2-methylbutoxy)pyrimidin-2-yl]phenyl] dodecanoate Traditional Name: lauric acid [4-[5-(2-methylbutoxy)pyrimidin-2-yl]phenyl] ester Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(C)CC

Isomeric SMILES

CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(C)CC

InChI

InChI=1S/C27H40N2O3/c1-4-6-7-8-9-10-11-12-13-14-26(30)32-24-17-15-23(16-18-24)27-28-19-25(20-29-27)31-21-22(3)5-2/h15-20,22H,4-14,21H2,1-3H3