ethyl 6-[4-(1,3-benzodioxol-5-yl)-6-phenyl-pyridin-2-yl]oxyhexanoate

Systemtic Name: ethyl 6-[4-(1,3-benzodioxol-5-yl)-6-phenyl-pyridin-2-yl]oxyhexanoate Openeye Name: ethyl 6-[[4-(1,3-benzodioxol-5-yl)-6-phenyl-2-pyridyl]oxy]hexanoate CAS Name: 6-[[4-(1,3-benzodioxol-5-yl)-6-phenyl-2-pyridinyl]oxy]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[4-(1,3-benzodioxol-5-yl)-6-phenylpyridin-2-yl]oxyhexanoate Traditional Name: 6-[[4-(1,3-benzodioxol-5-yl)-6-phenyl-2-pyridyl]oxy]hexanoic acid ethyl ester Formula: C26H27NO5 MolecularWeight: 433.49628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCOC1=CC(=CC(=N1)C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)CCCCCOC1=CC(=CC(=N1)C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H27NO5/c1-2-29-26(28)11-7-4-8-14-30-25-17-21(15-22(27-25)19-9-5-3-6-10-19)20-12-13-23-24(16-20)32-18-31-23/h3,5-6,9-10,12-13,15-17H,2,4,7-8,11,14,18H2,1H3