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

Systemtic Name: (2-chloranylquinolin-3-yl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: (2-chloro-3-quinolyl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid (2-chloro-3-quinolyl)methyl ester Formula: C21H22ClNO3 MolecularWeight: 371.85728

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC4=CC5=CC=CC=C5N=C4Cl

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)OCC4=CC5=CC=CC=C5N=C4Cl

InChI

InChI=1S/C21H22ClNO3/c22-18-16(6-15-3-1-2-4-17(15)23-18)11-26-19(24)20-7-13-5-14(8-20)10-21(25,9-13)12-20/h1-4,6,13-14,25H,5,7-12H2/t13-,14+,20?,21?