(3-chloranyl-4-methyl-quinolin-2-yl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: (3-chloranyl-4-methyl-quinolin-2-yl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: (3-chloro-4-methyl-2-quinolyl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid (3-chloro-4-methyl-2-quinolinyl)methyl ester IUPAC Name: (3-chloro-4-methylquinolin-2-yl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid (3-chloro-4-methyl-2-quinolyl)methyl ester Formula: C22H24ClNO3 MolecularWeight: 385.88386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C34CC5CC(C3)CC(C5)(C4)O)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O)Cl

InChI

InChI=1S/C22H24ClNO3/c1-13-16-4-2-3-5-17(16)24-18(19(13)23)11-27-20(25)21-7-14-6-15(8-21)10-22(26,9-14)12-21/h2-5,14-15,26H,6-12H2,1H3/t14-,15+,21?,22?