(5-ethanoyl-2-ethoxy-phenyl)methyl 2-[2-(1-adamantyl)ethanoylamino]ethanoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 2-[2-(1-adamantyl)ethanoylamino]ethanoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]acetic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]acetic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H33NO5/c1-3-30-22-5-4-20(16(2)27)9-21(22)15-31-24(29)14-26-23(28)13-25-10-17-6-18(11-25)8-19(7-17)12-25/h4-5,9,17-19H,3,6-8,10-15H2,1-2H3,(H,26,28)