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

Systemtic Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-nonoxy-cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-nonoxy-cyclohexene-1-carboxylate CAS Name: (3R,4R,5S)-4-acetamido-5-azido-3-nonoxy-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-nonoxycyclohexene-1-carboxylate Traditional Name: (3R,4R,5S)-4-acetamido-5-azido-3-nonoxy-cyclohexene-1-carboxylic acid ethyl ester Formula: C20H34N4O4 MolecularWeight: 394.50836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1C=C(CC(C1NC(=O)C)N=[N+]=[N-])C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C20H34N4O4/c1-4-6-7-8-9-10-11-12-28-18-14-16(20(26)27-5-2)13-17(23-24-21)19(18)22-15(3)25/h14,17-19H,4-13H2,1-3H3,(H,22,25)/t17-,18+,19+/m0/s1