1-[6-(4-nonylphenyl)pyridazin-3-yl]oxypropan-2-yl pentanoate

Systemtic Name: 1-[6-(4-nonylphenyl)pyridazin-3-yl]oxypropan-2-yl pentanoate Openeye Name: [1-methyl-2-[6-(4-nonylphenyl)pyridazin-3-yl]oxy-ethyl] pentanoate CAS Name: pentanoic acid 1-[[6-(4-nonylphenyl)-3-pyridazinyl]oxy]propan-2-yl ester IUPAC Name: 1-[6-(4-nonylphenyl)pyridazin-3-yl]oxypropan-2-yl pentanoate Traditional Name: valeric acid [1-methyl-2-[6-(4-nonylphenyl)pyridazin-3-yl]oxy-ethyl] ester Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=NN=C(C=C2)OCC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=NN=C(C=C2)OCC(C)OC(=O)CCCC

InChI

InChI=1S/C27H40N2O3/c1-4-6-8-9-10-11-12-13-23-15-17-24(18-16-23)25-19-20-26(29-28-25)31-21-22(3)32-27(30)14-7-5-2/h15-20,22H,4-14,21H2,1-3H3