(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[2-(1-adamantyl)ethanoylamino]ethanoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[2-(1-adamantyl)ethanoylamino]ethanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]acetic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]acetic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C27H39NO3 MolecularWeight: 425.60346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3)C)C(C)(C)C

InChI

InChI=1S/C27H39NO3/c1-17-6-22(26(3,4)5)7-18(2)23(17)16-31-25(30)15-28-24(29)14-27-11-19-8-20(12-27)10-21(9-19)13-27/h6-7,19-21H,8-16H2,1-5H3,(H,28,29)