methyl 4-methyl-2-[2-(3-oxidanyl-1-adamantyl)ethanoyloxymethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[2-(3-oxidanyl-1-adamantyl)ethanoyloxymethyl]quinoline-3-carboxylate Openeye Name: methyl 2-[[2-(3-hydroxy-1-adamantyl)acetyl]oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[2-(3-hydroxy-1-adamantyl)-1-oxoethoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-hydroxy-1-adamantyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[2-(3-hydroxy-1-adamantyl)acetyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C25H29NO5 MolecularWeight: 423.50146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CC34CC5CC(C3)CC(C5)(C4)O)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CC34CC5CC(C3)CC(C5)(C4)O)C(=O)OC

InChI

InChI=1S/C25H29NO5/c1-15-18-5-3-4-6-19(18)26-20(22(15)23(28)30-2)13-31-21(27)12-24-8-16-7-17(9-24)11-25(29,10-16)14-24/h3-6,16-17,29H,7-14H2,1-2H3