2-(4-phenylmethoxyphenyl)-3-(3,5,5-trimethylhexanoyl)-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-(4-phenylmethoxyphenyl)-3-(3,5,5-trimethylhexanoyl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-(4-benzyloxyphenyl)-3-(3,5,5-trimethylhexanoyl)thiazolidine-4-carboxylic acid CAS Name: 2-(4-phenylmethoxyphenyl)-3-(3,5,5-trimethyl-1-oxohexyl)-4-thiazolidinecarboxylic acid IUPAC Name: 2-(4-phenylmethoxyphenyl)-3-(3,5,5-trimethylhexanoyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-(4-benzoxyphenyl)-3-(3,5,5-trimethylhexanoyl)thiazolidine-4-carboxylic acid Formula: C26H33NO4S MolecularWeight: 455.60952

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1C(CSC1C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)N1C(CSC1C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O)CC(C)(C)C

InChI

InChI=1S/C26H33NO4S/c1-18(15-26(2,3)4)14-23(28)27-22(25(29)30)17-32-24(27)20-10-12-21(13-11-20)31-16-19-8-6-5-7-9-19/h5-13,18,22,24H,14-17H2,1-4H3,(H,29,30)