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

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

Systemtic Name:(3-cyanophenyl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate
Openeye Name:(3-cyanophenyl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate
CAS Name:(5S,7R)-3-hydroxy-1-adamantanecarboxylic acid (3-cyanophenyl)methyl ester
IUPAC Name:(3-cyanophenyl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate
Traditional Name:(5S,7R)-3-hydroxyadamantane-1-carboxylic acid (3-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=CC(=C4)C#N


Isomeric SMILES

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


InChI

InChI=1S/C19H21NO3/c20-10-13-2-1-3-14(4-13)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?


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