2-methyloct-5-yn-4-yl naphthalene-1-carboxylate

Systemtic Name: 2-methyloct-5-yn-4-yl naphthalene-1-carboxylate Openeye Name: 1-isobutylpent-2-ynyl naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid 2-methyloct-5-yn-4-yl ester IUPAC Name: 2-methyloct-5-yn-4-yl naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid 1-isobutylpent-2-ynyl ester Formula: C20H22O2 MolecularWeight: 294.38748

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC(CC(C)C)OC(=O)C1=CC=CC2=CC=CC=C21

Isomeric SMILES

CCC#CC(CC(C)C)OC(=O)C1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C20H22O2/c1-4-5-11-17(14-15(2)3)22-20(21)19-13-8-10-16-9-6-7-12-18(16)19/h6-10,12-13,15,17H,4,14H2,1-3H3