(4-bromanyl-2-chloranyl-6-methyl-phenyl) 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate

Systemtic Name: (4-bromanyl-2-chloranyl-6-methyl-phenyl) 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: (4-bromo-2-chloro-6-methyl-phenyl) 2-[(5S,7R)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (4-bromo-2-chloro-6-methylphenyl) ester IUPAC Name: (4-bromo-2-chloro-6-methylphenyl) 2-[(5S,7R)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (4-bromo-2-chloro-6-methyl-phenyl) ester Formula: C19H21Br2ClO2 MolecularWeight: 476.62984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)CC23CC4CC(C2)CC(C4)(C3)Br)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br)Cl)Br

InChI

InChI=1S/C19H21Br2ClO2/c1-11-2-14(20)4-15(22)17(11)24-16(23)9-18-5-12-3-13(6-18)8-19(21,7-12)10-18/h2,4,12-13H,3,5-10H2,1H3/t12-,13+,18?,19?