(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C25H33NO4/c1-14-5-15(2)23(17(4)27)16(3)21(14)13-30-22(28)12-26-24(29)25-9-18-6-19(10-25)8-20(7-18)11-25/h5,18-20H,6-13H2,1-4H3,(H,26,29)