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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC1=CC=CC=C1C2=NC=NC=C2OCC(C)CC

Isomeric SMILES

CCCCCCCCCCCC(=O)OC1=CC=CC=C1C2=NC=NC=C2OCC(C)CC

InChI

InChI=1S/C27H40N2O3/c1-4-6-7-8-9-10-11-12-13-18-26(30)32-24-17-15-14-16-23(24)27-25(19-28-21-29-27)31-20-22(3)5-2/h14-17,19,21-22H,4-13,18,20H2,1-3H3