4-[[2-methyl-2-[4-(1,3-thiazol-4-ylmethoxy)phenyl]propanoyl]amino]adamantane-1-carboxylic acid

Systemtic Name: 4-[[2-methyl-2-[4-(1,3-thiazol-4-ylmethoxy)phenyl]propanoyl]amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-methyl-2-[4-(thiazol-4-ylmethoxy)phenyl]propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[2-methyl-1-oxo-2-[4-(4-thiazolylmethoxy)phenyl]propyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[2-methyl-2-[4-(1,3-thiazol-4-ylmethoxy)phenyl]propanoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-methyl-2-[4-(thiazol-4-ylmethoxy)phenyl]propanoyl]amino]adamantane-1-carboxylic acid Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)OCC2=CSC=N2)C(=O)NC3C4CC5CC3CC(C5)(C4)C(=O)O

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)OCC2=CSC=N2)C(=O)NC3C4CC5CC3CC(C5)(C4)C(=O)O

InChI

InChI=1S/C25H30N2O4S/c1-24(2,18-3-5-20(6-4-18)31-12-19-13-32-14-26-19)22(28)27-21-16-7-15-8-17(21)11-25(9-15,10-16)23(29)30/h3-6,13-17,21H,7-12H2,1-2H3,(H,27,28)(H,29,30)