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

Systemtic Name: 4-[[2-methyl-2-(4-phenylpiperazin-1-yl)propanoyl]amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-methyl-2-(4-phenylpiperazin-1-yl)propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[2-methyl-1-oxo-2-(4-phenyl-1-piperazinyl)propyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[2-methyl-2-(4-phenylpiperazin-1-yl)propanoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-methyl-2-(4-phenylpiperazino)propanoyl]amino]adamantane-1-carboxylic acid Formula: C25H35N3O3 MolecularWeight: 425.5637

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O3/c1-24(2,28-10-8-27(9-11-28)20-6-4-3-5-7-20)22(29)26-21-18-12-17-13-19(21)16-25(14-17,15-18)23(30)31/h3-7,17-19,21H,8-16H2,1-2H3,(H,26,29)(H,30,31)