methyl (3R,4R,5R)-4-acetamido-5-(2-oxidanylideneethyl)-3-pentan-3-yloxy-cyclohexene-1-carboxylate

Systemtic Name: methyl (3R,4R,5R)-4-acetamido-5-(2-oxidanylideneethyl)-3-pentan-3-yloxy-cyclohexene-1-carboxylate Openeye Name: methyl (3R,4R,5R)-4-acetamido-3-(1-ethylpropoxy)-5-(2-oxoethyl)cyclohexene-1-carboxylate CAS Name: (3R,4R,5R)-4-acetamido-5-(2-oxoethyl)-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl (3R,4R,5R)-4-acetamido-5-(2-oxoethyl)-3-pentan-3-yloxycyclohexene-1-carboxylate Traditional Name: (3R,4R,5R)-4-acetamido-3-(1-ethylpropoxy)-5-(2-ketoethyl)cyclohexene-1-carboxylic acid methyl ester Formula: C17H27NO5 MolecularWeight: 325.39998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1NC(=O)C)CC=O)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO5/c1-5-14(6-2)23-15-10-13(17(21)22-4)9-12(7-8-19)16(15)18-11(3)20/h8,10,12,14-16H,5-7,9H2,1-4H3,(H,18,20)/t12-,15+,16+/m0/s1