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

Systemtic Name: [4-(5-heptoxypyridin-2-yl)phenyl] 2-methylbutanoate Openeye Name: [4-(5-heptoxy-2-pyridyl)phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [4-(5-heptoxy-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-heptoxypyridin-2-yl)phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [4-(5-heptoxy-2-pyridyl)phenyl] ester Formula: C23H31NO3 MolecularWeight: 369.49714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO3/c1-4-6-7-8-9-16-26-21-14-15-22(24-17-21)19-10-12-20(13-11-19)27-23(25)18(3)5-2/h10-15,17-18H,4-9,16H2,1-3H3