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

Systemtic Name: ethyl (3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(prop-2-enylamino)cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4R,5S)-4-acetamido-5-(allylamino)-3-(1-ethylpropoxy)cyclohexene-1-carboxylate CAS Name: (3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(prop-2-enylamino)-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(prop-2-enylamino)cyclohexene-1-carboxylate Traditional Name: (3R,4R,5S)-4-acetamido-5-(allylamino)-3-(1-ethylpropoxy)cyclohexene-1-carboxylic acid ethyl ester Formula: C19H32N2O4 MolecularWeight: 352.46838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2O4/c1-6-10-20-16-11-14(19(23)24-9-4)12-17(18(16)21-13(5)22)25-15(7-2)8-3/h6,12,15-18,20H,1,7-11H2,2-5H3,(H,21,22)/t16-,17+,18+/m0/s1