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

Systemtic Name: (2-cyanophenyl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: (2-cyanophenyl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid (2-cyanobenzyl) ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=CC=CC=C4C#N

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)OCC4=CC=CC=C4C#N

InChI

InChI=1S/C21H24N2O3/c1-14(24)23-21-9-15-6-16(10-21)8-20(7-15,13-21)19(25)26-12-18-5-3-2-4-17(18)11-22/h2-5,15-16H,6-10,12-13H2,1H3,(H,23,24)/t15-,16+,20?,21?