[(1R)-1-cyanoethyl] (5S,7R)-3-phenyladamantane-1-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] (5S,7R)-3-phenyladamantane-1-carboxylate Openeye Name: [(1R)-1-cyanoethyl] (5S,7R)-3-phenyladamantane-1-carboxylate CAS Name: (5S,7R)-3-phenyl-1-adamantanecarboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (5S,7R)-3-phenyladamantane-1-carboxylate Traditional Name: (5S,7R)-3-phenyladamantane-1-carboxylic acid [(1R)-1-cyanoethyl] ester Formula: C20H23NO2 MolecularWeight: 309.40212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C#N)OC(=O)C12C[C@@H]3C[C@H](C1)CC(C3)(C2)C4=CC=CC=C4

InChI

InChI=1S/C20H23NO2/c1-14(12-21)23-18(22)20-10-15-7-16(11-20)9-19(8-15,13-20)17-5-3-2-4-6-17/h2-6,14-16H,7-11,13H2,1H3/t14-,15-,16+,19?,20?/m1/s1