[4-[6-(4-propylphenyl)pyridazin-3-yl]phenyl] 5-methylheptanoate

Systemtic Name: [4-[6-(4-propylphenyl)pyridazin-3-yl]phenyl] 5-methylheptanoate Openeye Name: [4-[6-(4-propylphenyl)pyridazin-3-yl]phenyl] 5-methylheptanoate CAS Name: 5-methylheptanoic acid [4-[6-(4-propylphenyl)-3-pyridazinyl]phenyl] ester IUPAC Name: [4-[6-(4-propylphenyl)pyridazin-3-yl]phenyl] 5-methylheptanoate Traditional Name: 5-methylenanthic acid [4-[6-(4-propylphenyl)pyridazin-3-yl]phenyl] ester Formula: C27H32N2O2 MolecularWeight: 416.55518

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=NN=C(C=C2)C3=CC=C(C=C3)OC(=O)CCCC(C)CC

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=NN=C(C=C2)C3=CC=C(C=C3)OC(=O)CCCC(C)CC

InChI

InChI=1S/C27H32N2O2/c1-4-7-21-10-12-22(13-11-21)25-18-19-26(29-28-25)23-14-16-24(17-15-23)31-27(30)9-6-8-20(3)5-2/h10-20H,4-9H2,1-3H3