ethyl (3R,4R,5S)-4-acetamido-5-azido-3-[(3S)-decan-3-yl]oxy-cyclohexene-1-carboxylate

Systemtic Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-[(3S)-decan-3-yl]oxy-cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-[(1S)-1-ethyloctoxy]cyclohexene-1-carboxylate CAS Name: (3R,4R,5S)-4-acetamido-5-azido-3-[(3S)-decan-3-yl]oxy-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-[(3S)-decan-3-yl]oxycyclohexene-1-carboxylate Traditional Name: (3R,4R,5S)-4-acetamido-5-azido-3-[(1S)-1-ethyloctoxy]cyclohexene-1-carboxylic acid ethyl ester Formula: C21H36N4O4 MolecularWeight: 408.53494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CC)OC1C=C(CC(C1NC(=O)C)N=[N+]=[N-])C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H36N4O4/c1-5-8-9-10-11-12-17(6-2)29-19-14-16(21(27)28-7-3)13-18(24-25-22)20(19)23-15(4)26/h14,17-20H,5-13H2,1-4H3,(H,23,26)/t17-,18-,19+,20+/m0/s1