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

Systemtic Name: ethyl (3R,4S,5R)-4-oxidanyl-3-pentan-3-yloxy-5-(propylamino)cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4S,5R)-3-(1-ethylpropoxy)-4-hydroxy-5-(propylamino)cyclohexene-1-carboxylate CAS Name: (3R,4S,5R)-4-hydroxy-3-pentan-3-yloxy-5-(propylamino)-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4S,5R)-4-hydroxy-3-pentan-3-yloxy-5-(propylamino)cyclohexene-1-carboxylate Traditional Name: (3R,4S,5R)-3-(1-ethylpropoxy)-4-hydroxy-5-(propylamino)cyclohexene-1-carboxylic acid ethyl ester Formula: C17H31NO4 MolecularWeight: 313.43234

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1CC(=CC(C1O)OC(CC)CC)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C17H31NO4/c1-5-9-18-14-10-12(17(20)21-8-4)11-15(16(14)19)22-13(6-2)7-3/h11,13-16,18-19H,5-10H2,1-4H3/t14-,15-,16+/m1/s1