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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5R,7S)-3-phenyl-1-adamantyl]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide Traditional Name: N-homoveratryl-2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide Formula: C28H35NO3 MolecularWeight: 433.5824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CC23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)C5=CC=CC=C5)OC

InChI

InChI=1S/C28H35NO3/c1-31-24-9-8-20(13-25(24)32-2)10-11-29-26(30)18-27-14-21-12-22(15-27)17-28(16-21,19-27)23-6-4-3-5-7-23/h3-9,13,21-22H,10-12,14-19H2,1-2H3,(H,29,30)/t21-,22+,27?,28?