(2R)-2-[(3R,4S)-4-phenylmethoxypent-1-yn-3-yl]hexanoic acid

Systemtic Name: (2R)-2-[(3R,4S)-4-phenylmethoxypent-1-yn-3-yl]hexanoic acid Openeye Name: (2R)-2-[(1R)-1-[(1S)-1-benzyloxyethyl]prop-2-ynyl]hexanoic acid CAS Name: (2R)-2-[(3R,4S)-4-phenylmethoxypent-1-yn-3-yl]hexanoic acid IUPAC Name: (2R)-2-[(3R,4S)-4-phenylmethoxypent-1-yn-3-yl]hexanoic acid Traditional Name: (2R,3R)-3-[(1S)-1-benzoxyethyl]-2-butyl-pent-4-ynoic acid Formula: C18H24O3 MolecularWeight: 288.38136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C#C)C(C)OCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCC[C@H]([C@H](C#C)[C@H](C)OCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C18H24O3/c1-4-6-12-17(18(19)20)16(5-2)14(3)21-13-15-10-8-7-9-11-15/h2,7-11,14,16-17H,4,6,12-13H2,1,3H3,(H,19,20)/t14-,16+,17+/m0/s1