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

Systemtic Name: (3-chlorophenyl) 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: (3-chlorophenyl) 2-[(5S,7R)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (3-chlorophenyl) ester IUPAC Name: (3-chlorophenyl) 2-[(5S,7R)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (3-chlorophenyl) ester Formula: C18H20BrClO2 MolecularWeight: 383.7072

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OC4=CC(=CC=C4)Cl

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)CC(=O)OC4=CC(=CC=C4)Cl

InChI

InChI=1S/C18H20BrClO2/c19-18-8-12-4-13(9-18)7-17(6-12,11-18)10-16(21)22-15-3-1-2-14(20)5-15/h1-3,5,12-13H,4,6-11H2/t12-,13+,17?,18?