methyl (E,2S,3S)-2-acetamido-3,6,6-trimethyl-hept-4-enoate

Systemtic Name: methyl (E,2S,3S)-2-acetamido-3,6,6-trimethyl-hept-4-enoate Openeye Name: methyl (E,2S,3S)-2-acetamido-3,6,6-trimethyl-hept-4-enoate CAS Name: (E,2S,3S)-2-acetamido-3,6,6-trimethyl-4-heptenoic acid methyl ester IUPAC Name: methyl (E,2S,3S)-2-acetamido-3,6,6-trimethylhept-4-enoate Traditional Name: (E,2S,3S)-2-acetamido-3,6,6-trimethyl-hept-4-enoic acid methyl ester Formula: C13H23NO3 MolecularWeight: 241.32662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC(C)(C)C)C(C(=O)OC)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C13H23NO3/c1-9(7-8-13(3,4)5)11(12(16)17-6)14-10(2)15/h7-9,11H,1-6H3,(H,14,15)/b8-7+/t9-,11-/m0/s1