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

Systemtic Name: [2-(3-heptoxypyridin-4-yl)phenyl] 2-methylbutanoate Openeye Name: [2-(3-heptoxy-4-pyridyl)phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [2-(3-heptoxy-4-pyridinyl)phenyl] ester IUPAC Name: [2-(3-heptoxypyridin-4-yl)phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [2-(3-heptoxy-4-pyridyl)phenyl] ester Formula: C23H31NO3 MolecularWeight: 369.49714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)C(C)CC

Isomeric SMILES

CCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)C(C)CC

InChI

InChI=1S/C23H31NO3/c1-4-6-7-8-11-16-26-22-17-24-15-14-20(22)19-12-9-10-13-21(19)27-23(25)18(3)5-2/h9-10,12-15,17-18H,4-8,11,16H2,1-3H3