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

Systemtic Name: (4-methoxyphenyl) 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: (4-methoxyphenyl) 2-[(5S,7R)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 2-[(5S,7R)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (4-methoxyphenyl) ester Formula: C19H23BrO3 MolecularWeight: 379.28812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)OC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C19H23BrO3/c1-22-15-2-4-16(5-3-15)23-17(21)11-18-7-13-6-14(8-18)10-19(20,9-13)12-18/h2-5,13-14H,6-12H2,1H3/t13-,14+,18?,19?