(3-chloranyl-4-methyl-quinolin-2-yl)methyl 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate

Systemtic Name: (3-chloranyl-4-methyl-quinolin-2-yl)methyl 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate Openeye Name: (3-chloro-4-methyl-2-quinolyl)methyl 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid (3-chloro-4-methyl-2-quinolinyl)methyl ester IUPAC Name: (3-chloro-4-methylquinolin-2-yl)methyl 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid (3-chloro-4-methyl-2-quinolyl)methyl ester Formula: C23H26ClNO3 MolecularWeight: 399.91044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CC34CC5CC(C3)CC(C5)(C4)O)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CC34C[C@H]5C[C@@H](C3)CC(C5)(C4)O)Cl

InChI

InChI=1S/C23H26ClNO3/c1-14-17-4-2-3-5-18(17)25-19(21(14)24)12-28-20(26)11-22-7-15-6-16(8-22)10-23(27,9-15)13-22/h2-5,15-16,27H,6-13H2,1H3/t15-,16+,22?,23?