ethyl (3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(prop-2-enoxycarbonylamino)cyclohexene-1-carboxylate

Systemtic Name: ethyl (3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(prop-2-enoxycarbonylamino)cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4R,5S)-4-acetamido-5-(allyloxycarbonylamino)-3-(1-ethylpropoxy)cyclohexene-1-carboxylate CAS Name: (3R,4R,5S)-4-acetamido-5-[[oxo(prop-2-enoxy)methyl]amino]-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(prop-2-enoxycarbonylamino)cyclohexene-1-carboxylate Traditional Name: (3R,4R,5S)-4-acetamido-5-(allyloxycarbonylamino)-3-(1-ethylpropoxy)cyclohexene-1-carboxylic acid ethyl ester Formula: C20H32N2O6 MolecularWeight: 396.47788

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1NC(=O)C)NC(=O)OCC=C)C(=O)OCC

Isomeric SMILES

CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)NC(=O)OCC=C)C(=O)OCC

InChI

InChI=1S/C20H32N2O6/c1-6-10-27-20(25)22-16-11-14(19(24)26-9-4)12-17(18(16)21-13(5)23)28-15(7-2)8-3/h6,12,15-18H,1,7-11H2,2-5H3,(H,21,23)(H,22,25)/t16-,17+,18+/m0/s1