2-(1-adamantyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)CC45CC6CC(C4)CC(C6)C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)CC45CC6CC(C4)CC(C6)C5)OC

InChI

InChI=1S/C27H30N2O4/c1-31-23-5-3-19(10-24(23)32-2)26-29-21-11-20(4-6-22(21)33-26)28-25(30)15-27-12-16-7-17(13-27)9-18(8-16)14-27/h3-6,10-11,16-18H,7-9,12-15H2,1-2H3,(H,28,30)