5-(4-decyl-2-pyridazin-3-yl-phenyl)pent-4-yn-2-yl ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(C=C1)C#CCC(C)OC(=O)C)C2=NN=CC=C2

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(C=C1)C#CCC(C)OC(=O)C)C2=NN=CC=C2

InChI

InChI=1S/C27H36N2O2/c1-4-5-6-7-8-9-10-11-15-24-18-19-25(16-12-14-22(2)31-23(3)30)26(21-24)27-17-13-20-28-29-27/h13,17-22H,4-11,14-15H2,1-3H3