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

Systemtic Name: [2-(3-pentoxypyridin-4-yl)phenyl] 3-methylpentanoate Openeye Name: [2-(3-pentoxy-4-pyridyl)phenyl] 3-methylpentanoate CAS Name: 3-methylpentanoic acid [2-(3-pentoxy-4-pyridinyl)phenyl] ester IUPAC Name: [2-(3-pentoxypyridin-4-yl)phenyl] 3-methylpentanoate Traditional Name: 3-methylvaleric acid [2-(3-amoxy-4-pyridyl)phenyl] ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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