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

Systemtic Name: (4-chloranyl-2-methyl-phenyl) 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: (4-chloro-2-methyl-phenyl) 2-[(5S,7R)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) 2-[(5S,7R)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (4-chloro-2-methyl-phenyl) ester Formula: C19H22BrClO2 MolecularWeight: 397.73378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C19H22BrClO2/c1-12-4-15(21)2-3-16(12)23-17(22)10-18-6-13-5-14(7-18)9-19(20,8-13)11-18/h2-4,13-14H,5-11H2,1H3/t13-,14+,18?,19?