(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C26H37NO3 MolecularWeight: 411.57688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)C)C(C)(C)C

InChI

InChI=1S/C26H37NO3/c1-16-6-21(25(3,4)5)7-17(2)22(16)15-30-23(28)14-27-24(29)26-11-18-8-19(12-26)10-20(9-18)13-26/h6-7,18-20H,8-15H2,1-5H3,(H,27,29)