(3-chlorophenyl)methyl 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate

Systemtic Name: (3-chlorophenyl)methyl 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: (3-chlorophenyl)methyl 2-[(5S,7R)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (3-chlorophenyl)methyl ester IUPAC Name: (3-chlorophenyl)methyl 2-[(5S,7R)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (3-chlorobenzyl) ester Formula: C19H22BrClO2 MolecularWeight: 397.73378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)CC(=O)OCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C19H22BrClO2/c20-19-8-14-4-15(9-19)7-18(6-14,12-19)10-17(22)23-11-13-2-1-3-16(21)5-13/h1-3,5,14-15H,4,6-12H2/t14-,15+,18?,19?