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

Systemtic Name: (4-cyanophenyl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: (4-cyanophenyl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid (4-cyanobenzyl) ester Formula: C19H21NO3 MolecularWeight: 311.37494

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)OCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C19H21NO3/c20-10-13-1-3-14(4-2-13)11-23-17(21)18-6-15-5-16(7-18)9-19(22,8-15)12-18/h1-4,15-16,22H,5-9,11-12H2/t15-,16+,18?,19?