ethyl 5-[2-(1-adamantyl)ethanoylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: ethyl 5-[2-(1-adamantyl)ethanoylamino]-2-morpholin-4-yl-benzoate Openeye Name: ethyl 5-[[2-(1-adamantyl)acetyl]amino]-2-morpholino-benzoate CAS Name: 5-[[2-(1-adamantyl)-1-oxoethyl]amino]-2-(4-morpholinyl)benzoic acid ethyl ester IUPAC Name: ethyl 5-[[2-(1-adamantyl)acetyl]amino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[[2-(1-adamantyl)acetyl]amino]-2-morpholino-benzoic acid ethyl ester Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NC(=O)CC23CC4CC(C2)CC(C4)C3)N5CCOCC5

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC(=O)CC23CC4CC(C2)CC(C4)C3)N5CCOCC5

InChI

InChI=1S/C25H34N2O4/c1-2-31-24(29)21-12-20(3-4-22(21)27-5-7-30-8-6-27)26-23(28)16-25-13-17-9-18(14-25)11-19(10-17)15-25/h3-4,12,17-19H,2,5-11,13-16H2,1H3,(H,26,28)