[4-(2-cyanophenyl)phenyl]methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: [4-(2-cyanophenyl)phenyl]methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: [4-(2-cyanophenyl)phenyl]methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid [4-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [4-(2-cyanophenyl)phenyl]methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid [4-(2-cyanophenyl)benzyl] ester Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=CC=C(C=C4)C5=CC=CC=C5C#N

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)OCC4=CC=C(C=C4)C5=CC=CC=C5C#N

InChI

InChI=1S/C27H28N2O3/c1-18(30)29-27-13-20-10-21(14-27)12-26(11-20,17-27)25(31)32-16-19-6-8-22(9-7-19)24-5-3-2-4-23(24)15-28/h2-9,20-21H,10-14,16-17H2,1H3,(H,29,30)/t20-,21+,26?,27?