2,7-dimethyloct-7-en-5-yn-4-yl 4-methoxybenzoate

Systemtic Name: 2,7-dimethyloct-7-en-5-yn-4-yl 4-methoxybenzoate Openeye Name: (1-isobutyl-4-methyl-pent-4-en-2-ynyl) 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid 2,7-dimethyloct-7-en-5-yn-4-yl ester IUPAC Name: 2,7-dimethyloct-7-en-5-yn-4-yl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid (1-isobutyl-4-methyl-pent-4-en-2-ynyl) ester Formula: C18H22O3 MolecularWeight: 286.36548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O3/c1-13(2)6-9-17(12-14(3)4)21-18(19)15-7-10-16(20-5)11-8-15/h7-8,10-11,14,17H,1,12H2,2-5H3