(3,5-dimethylphenyl)methyl 3-acetamidoadamantane-1-carboxylate

Systemtic Name: (3,5-dimethylphenyl)methyl 3-acetamidoadamantane-1-carboxylate Openeye Name: (3,5-dimethylphenyl)methyl 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic 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)C23CC4CC(C2)CC(C4)(C3)NC(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO3/c1-14-4-15(2)6-17(5-14)12-26-20(25)21-8-18-7-19(9-21)11-22(10-18,13-21)23-16(3)24/h4-6,18-19H,7-13H2,1-3H3,(H,23,24)