2-methyloct-5-yn-4-yl 4-butylbenzoate

Systemtic Name: 2-methyloct-5-yn-4-yl 4-butylbenzoate Openeye Name: 1-isobutylpent-2-ynyl 4-butylbenzoate CAS Name: 4-butylbenzoic acid 2-methyloct-5-yn-4-yl ester IUPAC Name: 2-methyloct-5-yn-4-yl 4-butylbenzoate Traditional Name: 4-butylbenzoic acid 1-isobutylpent-2-ynyl ester Formula: C20H28O2 MolecularWeight: 300.43512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC(CC(C)C)C#CCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC(CC(C)C)C#CCC

InChI

InChI=1S/C20H28O2/c1-5-7-9-17-11-13-18(14-12-17)20(21)22-19(10-8-6-2)15-16(3)4/h11-14,16,19H,5-7,9,15H2,1-4H3