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

Systemtic Name: 2-(4-methoxyphenyl)ethyl 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: 2-(4-methoxyphenyl)ethyl 2-[(5S,7R)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid 2-(4-methoxyphenyl)ethyl ester IUPAC Name: 2-(4-methoxyphenyl)ethyl 2-[(5S,7R)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid 2-(4-methoxyphenyl)ethyl ester Formula: C21H27BrO3 MolecularWeight: 407.34128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrO3/c1-24-18-4-2-15(3-5-18)6-7-25-19(23)13-20-9-16-8-17(10-20)12-21(22,11-16)14-20/h2-5,16-17H,6-14H2,1H3/t16-,17+,20?,21?