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

Systemtic Name: 4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-methyl-1-oxopropyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropanoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-[4-(4-fluorophenyl)piperazino]-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid Formula: C25H34FN3O3 MolecularWeight: 443.554163

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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)F

Isomeric SMILES

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)O)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H34FN3O3/c1-24(2,29-9-7-28(8-10-29)20-5-3-19(26)4-6-20)22(30)27-21-17-11-16-12-18(21)15-25(13-16,14-17)23(31)32/h3-6,16-18,21H,7-15H2,1-2H3,(H,27,30)(H,31,32)