[2-[4-(4-octoxyphenyl)pyridazin-3-yl]phenyl] 2,6-dimethylheptanoate

Systemtic Name: [2-[4-(4-octoxyphenyl)pyridazin-3-yl]phenyl] 2,6-dimethylheptanoate Openeye Name: [2-[4-(4-octoxyphenyl)pyridazin-3-yl]phenyl] 2,6-dimethylheptanoate CAS Name: 2,6-dimethylheptanoic acid [2-[4-(4-octoxyphenyl)-3-pyridazinyl]phenyl] ester IUPAC Name: [2-[4-(4-octoxyphenyl)pyridazin-3-yl]phenyl] 2,6-dimethylheptanoate Traditional Name: 2,6-dimethylenanthic acid [2-[4-(4-octoxyphenyl)pyridazin-3-yl]phenyl] ester Formula: C33H44N2O3 MolecularWeight: 516.71406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=C(N=NC=C2)C3=CC=CC=C3OC(=O)C(C)CCCC(C)C

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=C(N=NC=C2)C3=CC=CC=C3OC(=O)C(C)CCCC(C)C

InChI

InChI=1S/C33H44N2O3/c1-5-6-7-8-9-12-24-37-28-20-18-27(19-21-28)29-22-23-34-35-32(29)30-16-10-11-17-31(30)38-33(36)26(4)15-13-14-25(2)3/h10-11,16-23,25-26H,5-9,12-15,24H2,1-4H3