methyl 4-methyl-2-[[(5S,7R)-3-oxidanyl-1-adamantyl]carbonyloxymethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[[(5S,7R)-3-oxidanyl-1-adamantyl]carbonyloxymethyl]quinoline-3-carboxylate Openeye Name: methyl 2-[[(5S,7R)-3-hydroxyadamantane-1-carbonyl]oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[[(5S,7R)-3-hydroxy-1-adamantyl]-oxomethoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(5S,7R)-3-hydroxyadamantane-1-carbonyl]oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(5S,7R)-3-hydroxyadamantane-1-carbonyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C24H27NO5 MolecularWeight: 409.47488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C34CC5CC(C3)CC(C5)(C4)O)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O)C(=O)OC

InChI

InChI=1S/C24H27NO5/c1-14-17-5-3-4-6-18(17)25-19(20(14)21(26)29-2)12-30-22(27)23-8-15-7-16(9-23)11-24(28,10-15)13-23/h3-6,15-16,28H,7-13H2,1-2H3/t15-,16+,23?,24?