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2-[4-(6-octylpyridazin-3-yl)phenoxy]propyl heptanoate

2-[4-(6-octylpyridazin-3-yl)phenoxy]propyl heptanoate

Systemtic Name:2-[4-(6-octylpyridazin-3-yl)phenoxy]propyl heptanoate
Openeye Name:2-[4-(6-octylpyridazin-3-yl)phenoxy]propyl heptanoate
CAS Name:heptanoic acid 2-[4-(6-octyl-3-pyridazinyl)phenoxy]propyl ester
IUPAC Name:2-[4-(6-octylpyridazin-3-yl)phenoxy]propyl heptanoate
Traditional Name:enanthic acid 2-[4-(6-octylpyridazin-3-yl)phenoxy]propyl ester
Formula: C28H42N2O3
MolecularWeight: 454.64468
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NN=C(C=C1)C2=CC=C(C=C2)OC(C)COC(=O)CCCCCC


Isomeric SMILES

CCCCCCCCC1=NN=C(C=C1)C2=CC=C(C=C2)OC(C)COC(=O)CCCCCC


InChI

InChI=1S/C28H42N2O3/c1-4-6-8-10-11-12-14-25-18-21-27(30-29-25)24-16-19-26(20-17-24)33-23(3)22-32-28(31)15-13-9-7-5-2/h16-21,23H,4-15,22H2,1-3H3


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