(3-methylquinoxalin-2-yl)methyl 1-(1-adamantylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 1-(1-adamantylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: (3-methylquinoxalin-2-yl)methyl 1-(adamantane-1-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: 1-[1-adamantyl(oxo)methyl]-4-hydroxy-2-pyrrolidinecarboxylic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate Traditional Name: 1-(adamantane-1-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)C3CC(CN3C(=O)C45CC6CC(C4)CC(C6)C5)O

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)C3CC(CN3C(=O)C45CC6CC(C4)CC(C6)C5)O

InChI

InChI=1S/C26H31N3O4/c1-15-22(28-21-5-3-2-4-20(21)27-15)14-33-24(31)23-9-19(30)13-29(23)25(32)26-10-16-6-17(11-26)8-18(7-16)12-26/h2-5,16-19,23,30H,6-14H2,1H3