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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)C34CC5CC(C3)CC(C5)(C4)O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)C34CC5CC(C3)CC(C5)(C4)O)C

InChI

InChI=1S/C25H29NO5/c1-3-30-22(27)21-15(2)18-6-4-5-7-19(18)26-20(21)13-31-23(28)24-9-16-8-17(10-24)12-25(29,11-16)14-24/h4-7,16-17,29H,3,8-14H2,1-2H3