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

Systemtic Name: [4-(5-undecoxypyridin-2-yl)phenyl] 3-methylpentanoate Openeye Name: [4-(5-undecoxy-2-pyridyl)phenyl] 3-methylpentanoate CAS Name: 3-methylpentanoic acid [4-(5-undecoxy-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-undecoxypyridin-2-yl)phenyl] 3-methylpentanoate Traditional Name: 3-methylvaleric acid [4-(5-undecoxy-2-pyridyl)phenyl] ester Formula: C28H41NO3 MolecularWeight: 439.63004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CC(C)CC

Isomeric SMILES

CCCCCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CC(C)CC

InChI

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