(3,5-dimethylphenyl)methyl 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: (3,5-dimethylphenyl)methyl 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: (3,5-dimethylphenyl)methyl 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid (3,5-dimethylbenzyl) ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C22H29NO3/c1-14-3-15(2)5-19(4-14)13-26-20(24)12-23-21(25)22-9-16-6-17(10-22)8-18(7-16)11-22/h3-5,16-18H,6-13H2,1-2H3,(H,23,25)