2-methyloct-5-yn-4-yl 4-methylbenzoate

Systemtic Name: 2-methyloct-5-yn-4-yl 4-methylbenzoate Openeye Name: 1-isobutylpent-2-ynyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid 2-methyloct-5-yn-4-yl ester IUPAC Name: 2-methyloct-5-yn-4-yl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid 1-isobutylpent-2-ynyl ester Formula: C17H22O2 MolecularWeight: 258.35538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22O2/c1-5-6-7-16(12-13(2)3)19-17(18)15-10-8-14(4)9-11-15/h8-11,13,16H,5,12H2,1-4H3