4-[[2-methyl-2-[4-(4-nitrophenyl)piperazin-1-yl]propanoyl]amino]adamantane-1-carboxylic acid

Systemtic Name: 4-[[2-methyl-2-[4-(4-nitrophenyl)piperazin-1-yl]propanoyl]amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-methyl-2-[4-(4-nitrophenyl)piperazin-1-yl]propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[2-methyl-2-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxopropyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[2-methyl-2-[4-(4-nitrophenyl)piperazin-1-yl]propanoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-methyl-2-[4-(4-nitrophenyl)piperazino]propanoyl]amino]adamantane-1-carboxylic acid Formula: C25H34N4O5 MolecularWeight: 470.56126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H34N4O5/c1-24(2,28-9-7-27(8-10-28)19-3-5-20(6-4-19)29(33)34)22(30)26-21-17-11-16-12-18(21)15-25(13-16,14-17)23(31)32/h3-6,16-18,21H,7-15H2,1-2H3,(H,26,30)(H,31,32)