(2-chloranyl-7-methoxy-quinolin-3-yl)methyl 2-(3-oxidanyl-1-adamantyl)ethanoate

Systemtic Name: (2-chloranyl-7-methoxy-quinolin-3-yl)methyl 2-(3-oxidanyl-1-adamantyl)ethanoate Openeye Name: (2-chloro-7-methoxy-3-quinolyl)methyl 2-(3-hydroxy-1-adamantyl)acetate CAS Name: 2-(3-hydroxy-1-adamantyl)acetic acid (2-chloro-7-methoxy-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methoxyquinolin-3-yl)methyl 2-(3-hydroxy-1-adamantyl)acetate Traditional Name: 2-(3-hydroxy-1-adamantyl)acetic acid (2-chloro-7-methoxy-3-quinolyl)methyl ester Formula: C23H26ClNO4 MolecularWeight: 415.90984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)CC34CC5CC(C3)CC(C5)(C4)O)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)CC34CC5CC(C3)CC(C5)(C4)O)Cl

InChI

InChI=1S/C23H26ClNO4/c1-28-18-3-2-16-5-17(21(24)25-19(16)6-18)12-29-20(26)11-22-7-14-4-15(8-22)10-23(27,9-14)13-22/h2-3,5-6,14-15,27H,4,7-13H2,1H3