[2-(3-dodecoxypyridin-4-yl)phenyl] 2-methylbutanoate

Systemtic Name: [2-(3-dodecoxypyridin-4-yl)phenyl] 2-methylbutanoate Openeye Name: [2-(3-dodecoxy-4-pyridyl)phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [2-(3-dodecoxy-4-pyridinyl)phenyl] ester IUPAC Name: [2-(3-dodecoxypyridin-4-yl)phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [2-(3-lauryloxy-4-pyridyl)phenyl] ester Formula: C28H41NO3 MolecularWeight: 439.63004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)C(C)CC

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)C(C)CC

InChI

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