2,6-dimethylnon-1-en-3-yn-5-yl 4-cyanobenzoate

Systemtic Name: 2,6-dimethylnon-1-en-3-yn-5-yl 4-cyanobenzoate Openeye Name: [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid 2,6-dimethylnon-1-en-3-yn-5-yl ester IUPAC Name: 2,6-dimethylnon-1-en-3-yn-5-yl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] ester Formula: C19H21NO2 MolecularWeight: 295.37554

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(C#CC(=C)C)OC(=O)C1=CC=C(C=C1)C#N

Isomeric SMILES

CCCC(C)C(C#CC(=C)C)OC(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C19H21NO2/c1-5-6-15(4)18(12-7-14(2)3)22-19(21)17-10-8-16(13-20)9-11-17/h8-11,15,18H,2,5-6H2,1,3-4H3