4-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]-N-ethyl-benzamide

Systemtic Name: 4-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]-N-ethyl-benzamide Openeye Name: 4-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]-N-ethyl-benzamide CAS Name: 4-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]-N-ethylbenzamide IUPAC Name: 4-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]-N-ethylbenzamide Traditional Name: 4-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]-N-ethyl-benzamide Formula: C31H37NO4 MolecularWeight: 487.62978

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC=C(C=C1)C#CC2=CC(=C(C=C2)OCOC(C)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCNC(=O)C1=CC=C(C=C1)C#CC2=CC(=C(C=C2)OCOC(C)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C31H37NO4/c1-4-32-30(33)27-10-7-22(8-11-27)5-6-23-9-12-29(36-20-35-21(2)34-3)28(16-23)31-17-24-13-25(18-31)15-26(14-24)19-31/h7-12,16,21,24-26H,4,13-15,17-20H2,1-3H3,(H,32,33)