7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]adamantane-1,3,5-tricarboxylic acid

Systemtic Name: 7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]adamantane-1,3,5-tricarboxylic acid Openeye Name: 7-[3-(tert-butoxycarbonylamino)propyl]adamantane-1,3,5-tricarboxylic acid CAS Name: 7-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]adamantane-1,3,5-tricarboxylic acid IUPAC Name: 7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]adamantane-1,3,5-tricarboxylic acid Traditional Name: 7-[3-(tert-butoxycarbonylamino)propyl]adamantane-1,3,5-tricarboxylic acid Formula: C21H31NO8 MolecularWeight: 425.47274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC12CC3(CC(C1)(CC(C2)(C3)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC12CC3(CC(C1)(CC(C2)(C3)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C21H31NO8/c1-17(2,3)30-16(29)22-6-4-5-18-7-19(13(23)24)10-20(8-18,14(25)26)12-21(9-18,11-19)15(27)28/h4-12H2,1-3H3,(H,22,29)(H,23,24)(H,25,26)(H,27,28)