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

Systemtic Name: [4-(4-cyanophenyl)phenyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: [4-(4-cyanophenyl)phenyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid [4-(4-cyanophenyl)phenyl] ester Formula: C26H26N2O3 MolecularWeight: 414.49624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OC4=CC=C(C=C4)C5=CC=C(C=C5)C#N

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)OC4=CC=C(C=C4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C26H26N2O3/c1-17(29)28-26-13-19-10-20(14-26)12-25(11-19,16-26)24(30)31-23-8-6-22(7-9-23)21-4-2-18(15-27)3-5-21/h2-9,19-20H,10-14,16H2,1H3,(H,28,29)/t19-,20+,25?,26?