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

Systemtic Name: 2,6-dimethylnon-1-en-3-yn-5-yl 3-methoxybenzoate Openeye Name: [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid 2,6-dimethylnon-1-en-3-yn-5-yl ester IUPAC Name: 2,6-dimethylnon-1-en-3-yn-5-yl 3-methoxybenzoate Traditional Name: 3-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(=CC=C1)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H24O3/c1-6-8-15(4)18(12-11-14(2)3)22-19(20)16-9-7-10-17(13-16)21-5/h7,9-10,13,15,18H,2,6,8H2,1,3-5H3