ethyl (3R,4R,5S)-4-acetamido-5-azido-3-octoxy-cyclohexene-1-carboxylate

Systemtic Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-octoxy-cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-octoxy-cyclohexene-1-carboxylate CAS Name: (3R,4R,5S)-4-acetamido-5-azido-3-octoxy-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-octoxycyclohexene-1-carboxylate Traditional Name: (3R,4R,5S)-4-acetamido-5-azido-3-octoxy-cyclohexene-1-carboxylic acid ethyl ester Formula: C19H32N4O4 MolecularWeight: 380.48178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1C=C(CC(C1NC(=O)C)N=[N+]=[N-])C(=O)OCC

Isomeric SMILES

CCCCCCCCO[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N=[N+]=[N-])C(=O)OCC

InChI

InChI=1S/C19H32N4O4/c1-4-6-7-8-9-10-11-27-17-13-15(19(25)26-5-2)12-16(22-23-20)18(17)21-14(3)24/h13,16-18H,4-12H2,1-3H3,(H,21,24)/t16-,17+,18+/m0/s1