[4-(5-dodecoxypyridin-2-yl)phenyl] 3-methylpentanoate

Systemtic Name: [4-(5-dodecoxypyridin-2-yl)phenyl] 3-methylpentanoate Openeye Name: [4-(5-dodecoxy-2-pyridyl)phenyl] 3-methylpentanoate CAS Name: 3-methylpentanoic acid [4-(5-dodecoxy-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-dodecoxypyridin-2-yl)phenyl] 3-methylpentanoate Traditional Name: 3-methylvaleric acid [4-(5-lauryloxy-2-pyridyl)phenyl] ester Formula: C29H43NO3 MolecularWeight: 453.65662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H43NO3/c1-4-6-7-8-9-10-11-12-13-14-21-32-27-19-20-28(30-23-27)25-15-17-26(18-16-25)33-29(31)22-24(3)5-2/h15-20,23-24H,4-14,21-22H2,1-3H3