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

Systemtic Name: 2,6-dimethylnon-1-en-3-yn-5-yl 4-methoxybenzoate Openeye Name: [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid 2,6-dimethylnon-1-en-3-yn-5-yl ester IUPAC Name: 2,6-dimethylnon-1-en-3-yn-5-yl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] ester Formula: C19H24O3 MolecularWeight: 300.39206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24O3/c1-6-7-15(4)18(13-8-14(2)3)22-19(20)16-9-11-17(21-5)12-10-16/h9-12,15,18H,2,6-7H2,1,3-5H3