[2-[3-(2-methylbutoxy)pyridin-4-yl]phenyl] dodecanoate

Systemtic Name: [2-[3-(2-methylbutoxy)pyridin-4-yl]phenyl] dodecanoate Openeye Name: [2-[3-(2-methylbutoxy)-4-pyridyl]phenyl] dodecanoate CAS Name: dodecanoic acid [2-[3-(2-methylbutoxy)-4-pyridinyl]phenyl] ester IUPAC Name: [2-[3-(2-methylbutoxy)pyridin-4-yl]phenyl] dodecanoate Traditional Name: lauric acid [2-[3-(2-methylbutoxy)-4-pyridyl]phenyl] ester Formula: C28H41NO3 MolecularWeight: 439.63004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC1=CC=CC=C1C2=C(C=NC=C2)OCC(C)CC

Isomeric SMILES

CCCCCCCCCCCC(=O)OC1=CC=CC=C1C2=C(C=NC=C2)OCC(C)CC

InChI

InChI=1S/C28H41NO3/c1-4-6-7-8-9-10-11-12-13-18-28(30)32-26-17-15-14-16-24(26)25-19-20-29-21-27(25)31-22-23(3)5-2/h14-17,19-21,23H,4-13,18,22H2,1-3H3