2-methyloct-5-yn-4-yl 4-methoxybenzoate

Systemtic Name: 2-methyloct-5-yn-4-yl 4-methoxybenzoate Openeye Name: 1-isobutylpent-2-ynyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid 2-methyloct-5-yn-4-yl ester IUPAC Name: 2-methyloct-5-yn-4-yl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid 1-isobutylpent-2-ynyl ester Formula: C17H22O3 MolecularWeight: 274.35478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22O3/c1-5-6-7-16(12-13(2)3)20-17(18)14-8-10-15(19-4)11-9-14/h8-11,13,16H,5,12H2,1-4H3