2-[3-[2-methyl-1-[(5-oxidanyl-2-adamantyl)amino]-1-oxidanylidene-propan-2-yl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[2-methyl-1-[(5-oxidanyl-2-adamantyl)amino]-1-oxidanylidene-propan-2-yl]phenoxy]ethanoic acid Openeye Name: 2-[3-[2-[(5-hydroxy-2-adamantyl)amino]-1,1-dimethyl-2-oxo-ethyl]phenoxy]acetic acid CAS Name: 2-[3-[1-[(5-hydroxy-2-adamantyl)amino]-2-methyl-1-oxopropan-2-yl]phenoxy]acetic acid IUPAC Name: 2-[3-[1-[(5-hydroxy-2-adamantyl)amino]-2-methyl-1-oxopropan-2-yl]phenoxy]acetic acid Traditional Name: 2-[3-[2-[(5-hydroxy-2-adamantyl)amino]-2-keto-1,1-dimethyl-ethyl]phenoxy]acetic acid Formula: C22H29NO5 MolecularWeight: 387.46936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=CC=C1)OCC(=O)O)C(=O)NC2C3CC4CC2CC(C4)(C3)O

Isomeric SMILES

CC(C)(C1=CC(=CC=C1)OCC(=O)O)C(=O)NC2C3CC4CC2CC(C4)(C3)O

InChI

InChI=1S/C22H29NO5/c1-21(2,16-4-3-5-17(8-16)28-12-18(24)25)20(26)23-19-14-6-13-7-15(19)11-22(27,9-13)10-14/h3-5,8,13-15,19,27H,6-7,9-12H2,1-2H3,(H,23,26)(H,24,25)