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

Systemtic Name: [4-(5-undecoxypyridin-2-yl)phenyl] 2-methylbutanoate Openeye Name: [4-(5-undecoxy-2-pyridyl)phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [4-(5-undecoxy-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-undecoxypyridin-2-yl)phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [4-(5-undecoxy-2-pyridyl)phenyl] ester Formula: C27H39NO3 MolecularWeight: 425.60346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39NO3/c1-4-6-7-8-9-10-11-12-13-20-30-25-18-19-26(28-21-25)23-14-16-24(17-15-23)31-27(29)22(3)5-2/h14-19,21-22H,4-13,20H2,1-3H3