(2-methylphenyl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: (2-methylphenyl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: o-tolylmethyl (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid (2-methylbenzyl) ester Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=CC=C1COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)NC(=O)C

InChI

InChI=1S/C21H27NO3/c1-14-5-3-4-6-18(14)12-25-19(24)20-8-16-7-17(9-20)11-21(10-16,13-20)22-15(2)23/h3-6,16-17H,7-13H2,1-2H3,(H,22,23)/t16-,17+,20?,21?