2-(4-methylpiperazin-1-yl)-2-(2-oxidanyl-2-adamantyl)ethanoic acid

Systemtic Name: 2-(4-methylpiperazin-1-yl)-2-(2-oxidanyl-2-adamantyl)ethanoic acid Openeye Name: 2-(2-hydroxy-2-adamantyl)-2-(4-methylpiperazin-1-yl)acetic acid CAS Name: 2-(2-hydroxy-2-adamantyl)-2-(4-methyl-1-piperazinyl)acetic acid IUPAC Name: 2-(2-hydroxy-2-adamantyl)-2-(4-methylpiperazin-1-yl)acetic acid Traditional Name: 2-(2-hydroxy-2-adamantyl)-2-(4-methylpiperazino)acetic acid Formula: C17H28N2O3 MolecularWeight: 308.41582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(C(=O)O)C2(C3CC4CC(C3)CC2C4)O

Isomeric SMILES

CN1CCN(CC1)C(C(=O)O)C2(C3CC4CC(C3)CC2C4)O

InChI

InChI=1S/C17H28N2O3/c1-18-2-4-19(5-3-18)15(16(20)21)17(22)13-7-11-6-12(9-13)10-14(17)8-11/h11-15,22H,2-10H2,1H3,(H,20,21)