5-[2-[4-(1-adamantyl)phenoxy]ethanoylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[2-[4-(1-adamantyl)phenoxy]ethanoylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[2-[4-(1-adamantyl)phenoxy]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]isophthalic acid Formula: C26H27NO6 MolecularWeight: 449.49568

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OCC(=O)NC5=CC(=CC(=C5)C(=O)O)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OCC(=O)NC5=CC(=CC(=C5)C(=O)O)C(=O)O

InChI

InChI=1S/C26H27NO6/c28-23(27-21-9-18(24(29)30)8-19(10-21)25(31)32)14-33-22-3-1-20(2-4-22)26-11-15-5-16(12-26)7-17(6-15)13-26/h1-4,8-10,15-17H,5-7,11-14H2,(H,27,28)(H,29,30)(H,31,32)