5-[2-(3-decylpyridazin-4-yl)phenyl]pent-4-yn-2-yl ethanoate

Systemtic Name: 5-[2-(3-decylpyridazin-4-yl)phenyl]pent-4-yn-2-yl ethanoate Openeye Name: [4-[2-(3-decylpyridazin-4-yl)phenyl]-1-methyl-but-3-ynyl] acetate CAS Name: acetic acid 5-[2-(3-decyl-4-pyridazinyl)phenyl]pent-4-yn-2-yl ester IUPAC Name: 5-[2-(3-decylpyridazin-4-yl)phenyl]pent-4-yn-2-yl acetate Traditional Name: acetic acid [4-[2-(3-decylpyridazin-4-yl)phenyl]-1-methyl-but-3-ynyl] ester Formula: C27H36N2O2 MolecularWeight: 420.58694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C=CN=N1)C2=CC=CC=C2C#CCC(C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCC1=C(C=CN=N1)C2=CC=CC=C2C#CCC(C)OC(=O)C

InChI

InChI=1S/C27H36N2O2/c1-4-5-6-7-8-9-10-11-19-27-26(20-21-28-29-27)25-18-13-12-16-24(25)17-14-15-22(2)31-23(3)30/h12-13,16,18,20-22H,4-11,15,19H2,1-3H3