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

Systemtic Name: methyl 2-[2-(1-adamantylcarbonylamino)ethanoyloxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[2-(adamantane-1-carbonylamino)acetyl]oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[2-[[1-adamantyl(oxo)methyl]amino]-1-oxoethoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(adamantane-1-carbonylamino)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[2-(adamantane-1-carbonylamino)acetyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C26H30N2O5 MolecularWeight: 450.5268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O5/c1-15-19-5-3-4-6-20(19)28-21(23(15)24(30)32-2)14-33-22(29)13-27-25(31)26-10-16-7-17(11-26)9-18(8-16)12-26/h3-6,16-18H,7-14H2,1-2H3,(H,27,31)