[4-(5-dodecoxypyridin-2-yl)phenyl] 2-methylbutanoate

Systemtic Name: [4-(5-dodecoxypyridin-2-yl)phenyl] 2-methylbutanoate Openeye Name: [4-(5-dodecoxy-2-pyridyl)phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [4-(5-dodecoxy-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-dodecoxypyridin-2-yl)phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [4-(5-lauryloxy-2-pyridyl)phenyl] ester Formula: C28H41NO3 MolecularWeight: 439.63004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C)CC

Isomeric SMILES

CCCCCCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C)CC

InChI

InChI=1S/C28H41NO3/c1-4-6-7-8-9-10-11-12-13-14-21-31-26-19-20-27(29-22-26)24-15-17-25(18-16-24)32-28(30)23(3)5-2/h15-20,22-23H,4-14,21H2,1-3H3