(2-chloranylquinolin-3-yl)methyl 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate Openeye Name: (2-chloro-3-quinolyl)methyl 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid (2-chloro-3-quinolyl)methyl ester Formula: C22H24ClNO3 MolecularWeight: 385.88386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO3/c23-20-17(6-16-3-1-2-4-18(16)24-20)12-27-19(25)11-21-7-14-5-15(8-21)10-22(26,9-14)13-21/h1-4,6,14-15,26H,5,7-13H2/t14-,15+,21?,22?