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

Systemtic Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-heptoxy-cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-heptoxy-cyclohexene-1-carboxylate CAS Name: (3R,4R,5S)-4-acetamido-5-azido-3-heptoxy-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-heptoxycyclohexene-1-carboxylate Traditional Name: (3R,4R,5S)-4-acetamido-5-azido-3-heptoxy-cyclohexene-1-carboxylic acid ethyl ester Formula: C18H30N4O4 MolecularWeight: 366.4552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1C=C(CC(C1NC(=O)C)N=[N+]=[N-])C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C18H30N4O4/c1-4-6-7-8-9-10-26-16-12-14(18(24)25-5-2)11-15(21-22-19)17(16)20-13(3)23/h12,15-17H,4-11H2,1-3H3,(H,20,23)/t15-,16+,17+/m0/s1