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

Systemtic Name: ethyl (3R,4S,5R)-4-oxidanyl-3-pentan-3-yloxy-5-(propylideneamino)cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4S,5R)-3-(1-ethylpropoxy)-4-hydroxy-5-(propylideneamino)cyclohexene-1-carboxylate CAS Name: (3R,4S,5R)-4-hydroxy-3-pentan-3-yloxy-5-(propylideneamino)-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4S,5R)-4-hydroxy-3-pentan-3-yloxy-5-(propylideneamino)cyclohexene-1-carboxylate Traditional Name: (3R,4S,5R)-3-(1-ethylpropoxy)-4-hydroxy-5-(propylideneamino)cyclohexene-1-carboxylic acid ethyl ester Formula: C17H29NO4 MolecularWeight: 311.41646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=NC1CC(=CC(C1O)OC(CC)CC)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO4/c1-5-9-18-14-10-12(17(20)21-8-4)11-15(16(14)19)22-13(6-2)7-3/h9,11,13-16,19H,5-8,10H2,1-4H3/t14-,15-,16+/m1/s1