(4S,5R)-2-(2,4-dimethoxyphenyl)-3-hexanoyl-4-(2-methylpropyl)-1,3-oxazolidine-5-carboxylic acid

Systemtic Name: (4S,5R)-2-(2,4-dimethoxyphenyl)-3-hexanoyl-4-(2-methylpropyl)-1,3-oxazolidine-5-carboxylic acid Openeye Name: (4S,5R)-2-(2,4-dimethoxyphenyl)-3-hexanoyl-4-isobutyl-oxazolidine-5-carboxylic acid CAS Name: (4S,5R)-2-(2,4-dimethoxyphenyl)-4-(2-methylpropyl)-3-(1-oxohexyl)-5-oxazolidinecarboxylic acid IUPAC Name: (4S,5R)-2-(2,4-dimethoxyphenyl)-3-hexanoyl-4-(2-methylpropyl)-1,3-oxazolidine-5-carboxylic acid Traditional Name: (4S,5R)-3-caproyl-2-(2,4-dimethoxyphenyl)-4-isobutyl-oxazolidine-5-carboxylic acid Formula: C22H33NO6 MolecularWeight: 407.50052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1C(C(OC1C2=C(C=C(C=C2)OC)OC)C(=O)O)CC(C)C

Isomeric SMILES

CCCCCC(=O)N1[C@H]([C@@H](OC1C2=C(C=C(C=C2)OC)OC)C(=O)O)CC(C)C

InChI

InChI=1S/C22H33NO6/c1-6-7-8-9-19(24)23-17(12-14(2)3)20(22(25)26)29-21(23)16-11-10-15(27-4)13-18(16)28-5/h10-11,13-14,17,20-21H,6-9,12H2,1-5H3,(H,25,26)/t17-,20+,21?/m0/s1