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

Systemtic Name: (4-ethanoyl-2-methoxy-phenyl) 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: (4-acetyl-2-methoxy-phenyl) 2-[(5S,7R)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (4-acetyl-2-methoxyphenyl) ester IUPAC Name: (4-acetyl-2-methoxyphenyl) 2-[(5S,7R)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (4-acetyl-2-methoxy-phenyl) ester Formula: C21H25BrO4 MolecularWeight: 421.3248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrO4/c1-13(23)16-3-4-17(18(6-16)25-2)26-19(24)11-20-7-14-5-15(8-20)10-21(22,9-14)12-20/h3-4,6,14-15H,5,7-12H2,1-2H3/t14-,15+,20?,21?