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

Systemtic Name: ethyl (3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(propylamino)cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4R,5S)-4-acetamido-3-(1-ethylpropoxy)-5-(propylamino)cyclohexene-1-carboxylate CAS Name: (3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(propylamino)-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(propylamino)cyclohexene-1-carboxylate Traditional Name: (3R,4R,5S)-4-acetamido-3-(1-ethylpropoxy)-5-(propylamino)cyclohexene-1-carboxylic acid ethyl ester Formula: C19H34N2O4 MolecularWeight: 354.48426

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1CC(=CC(C1NC(=O)C)OC(CC)CC)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C19H34N2O4/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/h12,15-18,20H,6-11H2,1-5H3,(H,21,22)/t16-,17+,18+/m0/s1