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

Systemtic Name: 2,7-dimethyloct-7-en-5-yn-4-yl 2-methoxybenzoate Openeye Name: (1-isobutyl-4-methyl-pent-4-en-2-ynyl) 2-methoxybenzoate CAS Name: 2-methoxybenzoic acid 2,7-dimethyloct-7-en-5-yn-4-yl ester IUPAC Name: 2,7-dimethyloct-7-en-5-yn-4-yl 2-methoxybenzoate Traditional Name: 2-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=CC=C1OC

Isomeric SMILES

CC(C)CC(C#CC(=C)C)OC(=O)C1=CC=CC=C1OC

InChI

InChI=1S/C18H22O3/c1-13(2)10-11-15(12-14(3)4)21-18(19)16-8-6-7-9-17(16)20-5/h6-9,14-15H,1,12H2,2-5H3