(2S,3S,4R)-3-ethynyl-2-methyl-4-phenylmethoxy-nonanoic acid

Systemtic Name: (2S,3S,4R)-3-ethynyl-2-methyl-4-phenylmethoxy-nonanoic acid Openeye Name: (2S,3S,4R)-4-benzyloxy-3-ethynyl-2-methyl-nonanoic acid CAS Name: (2S,3S,4R)-3-ethynyl-2-methyl-4-phenylmethoxynonanoic acid IUPAC Name: (2S,3S,4R)-3-ethynyl-2-methyl-4-phenylmethoxynonanoic acid Traditional Name: (2S,3S)-3-[(1R)-1-benzoxyhexyl]-2-methyl-pent-4-ynoic acid Formula: C19H26O3 MolecularWeight: 302.40794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26O3/c1-4-6-8-13-18(17(5-2)15(3)19(20)21)22-14-16-11-9-7-10-12-16/h2,7,9-12,15,17-18H,4,6,8,13-14H2,1,3H3,(H,20,21)/t15-,17+,18+/m0/s1