[(4R,5S,6S)-5-acetamido-6-methyl-oct-7-en-4-yl] ethanoate

Systemtic Name: [(4R,5S,6S)-5-acetamido-6-methyl-oct-7-en-4-yl] ethanoate Openeye Name: [(1R,2S,3S)-2-acetamido-3-methyl-1-propyl-pent-4-enyl] acetate CAS Name: acetic acid [(4R,5S,6S)-5-acetamido-6-methyloct-7-en-4-yl] ester IUPAC Name: [(4R,5S,6S)-5-acetamido-6-methyloct-7-en-4-yl] acetate Traditional Name: acetic acid [(1R,2S,3S)-2-acetamido-3-methyl-1-propyl-pent-4-enyl] ester Formula: C13H23NO3 MolecularWeight: 241.32662

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(C)C=C)NC(=O)C)OC(=O)C

Isomeric SMILES

CCC[C@H]([C@H]([C@@H](C)C=C)NC(=O)C)OC(=O)C

InChI

InChI=1S/C13H23NO3/c1-6-8-12(17-11(5)16)13(9(3)7-2)14-10(4)15/h7,9,12-13H,2,6,8H2,1,3-5H3,(H,14,15)/t9-,12+,13-/m0/s1