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

Systemtic Name: 4-[[2-methyl-2-(4-phenylpiperidin-1-yl)propanoyl]amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-methyl-2-(4-phenyl-1-piperidyl)propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[2-methyl-1-oxo-2-(4-phenyl-1-piperidinyl)propyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[2-methyl-2-(4-phenylpiperidin-1-yl)propanoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-methyl-2-(4-phenylpiperidino)propanoyl]amino]adamantane-1-carboxylic acid Formula: C26H36N2O3 MolecularWeight: 424.57564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)O)N4CCC(CC4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)O)N4CCC(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H36N2O3/c1-25(2,28-10-8-19(9-11-28)18-6-4-3-5-7-18)23(29)27-22-20-12-17-13-21(22)16-26(14-17,15-20)24(30)31/h3-7,17,19-22H,8-16H2,1-2H3,(H,27,29)(H,30,31)