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

Systemtic Name: 2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-[2-(4-methoxyphenyl)ethyl]ethanamide Openeye Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide IUPAC Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide Formula: C21H28BrNO2 MolecularWeight: 406.35652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28BrNO2/c1-25-18-4-2-15(3-5-18)6-7-23-19(24)13-20-9-16-8-17(10-20)12-21(22,11-16)14-20/h2-5,16-17H,6-14H2,1H3,(H,23,24)/t16-,17+,20?,21?