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

Systemtic Name: [2-(3-undecoxypyridin-4-yl)phenyl] 2-methylbutanoate Openeye Name: [2-(3-undecoxy-4-pyridyl)phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [2-(3-undecoxy-4-pyridinyl)phenyl] ester IUPAC Name: [2-(3-undecoxypyridin-4-yl)phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [2-(3-undecoxy-4-pyridyl)phenyl] ester Formula: C27H39NO3 MolecularWeight: 425.60346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)C(C)CC

Isomeric SMILES

CCCCCCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)C(C)CC

InChI

InChI=1S/C27H39NO3/c1-4-6-7-8-9-10-11-12-15-20-30-26-21-28-19-18-24(26)23-16-13-14-17-25(23)31-27(29)22(3)5-2/h13-14,16-19,21-22H,4-12,15,20H2,1-3H3