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

Systemtic Name: [2-(3-pentoxypyridin-4-yl)phenyl] 4-methylhexanoate Openeye Name: [2-(3-pentoxy-4-pyridyl)phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [2-(3-pentoxy-4-pyridinyl)phenyl] ester IUPAC Name: [2-(3-pentoxypyridin-4-yl)phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-(3-amoxy-4-pyridyl)phenyl] ester Formula: C23H31NO3 MolecularWeight: 369.49714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

InChI

InChI=1S/C23H31NO3/c1-4-6-9-16-26-22-17-24-15-14-20(22)19-10-7-8-11-21(19)27-23(25)13-12-18(3)5-2/h7-8,10-11,14-15,17-18H,4-6,9,12-13,16H2,1-3H3