[2-(3-butoxypyridin-4-yl)phenyl] 4-methylhexanoate

Systemtic Name: [2-(3-butoxypyridin-4-yl)phenyl] 4-methylhexanoate Openeye Name: [2-(3-butoxy-4-pyridyl)phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [2-(3-butoxy-4-pyridinyl)phenyl] ester IUPAC Name: [2-(3-butoxypyridin-4-yl)phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-(3-butoxy-4-pyridyl)phenyl] ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

Isomeric SMILES

CCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

InChI

InChI=1S/C22H29NO3/c1-4-6-15-25-21-16-23-14-13-19(21)18-9-7-8-10-20(18)26-22(24)12-11-17(3)5-2/h7-10,13-14,16-17H,4-6,11-12,15H2,1-3H3