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

Systemtic Name: [2-(3-hexoxypyridin-4-yl)phenyl] 2-methylbutanoate Openeye Name: [2-(3-hexoxy-4-pyridyl)phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [2-(3-hexoxy-4-pyridinyl)phenyl] ester IUPAC Name: [2-(3-hexoxypyridin-4-yl)phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [2-(3-hexoxy-4-pyridyl)phenyl] ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)C(C)CC

Isomeric SMILES

CCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)C(C)CC

InChI

InChI=1S/C22H29NO3/c1-4-6-7-10-15-25-21-16-23-14-13-19(21)18-11-8-9-12-20(18)26-22(24)17(3)5-2/h8-9,11-14,16-17H,4-7,10,15H2,1-3H3