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

Systemtic Name: ethyl 6-[4-(1,3-benzodioxol-5-yl)-6-phenyl-pyridin-2-yl]oxy-2-methyl-hexanoate Openeye Name: ethyl 6-[[4-(1,3-benzodioxol-5-yl)-6-phenyl-2-pyridyl]oxy]-2-methyl-hexanoate CAS Name: 6-[[4-(1,3-benzodioxol-5-yl)-6-phenyl-2-pyridinyl]oxy]-2-methylhexanoic acid ethyl ester IUPAC Name: ethyl 6-[4-(1,3-benzodioxol-5-yl)-6-phenylpyridin-2-yl]oxy-2-methylhexanoate Traditional Name: 6-[[4-(1,3-benzodioxol-5-yl)-6-phenyl-2-pyridyl]oxy]-2-methyl-hexanoic acid ethyl ester Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)CCCCOC1=CC(=CC(=N1)C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C(C)CCCCOC1=CC(=CC(=N1)C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C27H29NO5/c1-3-30-27(29)19(2)9-7-8-14-31-26-17-22(15-23(28-26)20-10-5-4-6-11-20)21-12-13-24-25(16-21)33-18-32-24/h4-6,10-13,15-17,19H,3,7-9,14,18H2,1-2H3