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

Systemtic Name: (2-cyanophenyl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: (2-cyanophenyl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid (2-cyanobenzyl) ester Formula: C19H21NO3 MolecularWeight: 311.37494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC4=CC=CC=C4C#N

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)OCC4=CC=CC=C4C#N

InChI

InChI=1S/C19H21NO3/c20-10-15-3-1-2-4-16(15)11-23-17(21)18-6-13-5-14(7-18)9-19(22,8-13)12-18/h1-4,13-14,22H,5-9,11-12H2/t13-,14+,18?,19?