tert-butyl 4-[(5-oxidanyl-2-adamantyl)carbamoyl]-2,3-dihydroquinoxaline-1-carboxylate

Systemtic Name: tert-butyl 4-[(5-oxidanyl-2-adamantyl)carbamoyl]-2,3-dihydroquinoxaline-1-carboxylate Openeye Name: tert-butyl 4-[(5-hydroxy-2-adamantyl)carbamoyl]-2,3-dihydroquinoxaline-1-carboxylate CAS Name: 4-[[(5-hydroxy-2-adamantyl)amino]-oxomethyl]-2,3-dihydroquinoxaline-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-hydroxy-2-adamantyl)carbamoyl]-2,3-dihydroquinoxaline-1-carboxylate Traditional Name: 4-[(5-hydroxy-2-adamantyl)carbamoyl]-2,3-dihydroquinoxaline-1-carboxylic acid tert-butyl ester Formula: C24H33N3O4 MolecularWeight: 427.53652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C2=CC=CC=C21)C(=O)NC3C4CC5CC3CC(C5)(C4)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C2=CC=CC=C21)C(=O)NC3C4CC5CC3CC(C5)(C4)O

InChI

InChI=1S/C24H33N3O4/c1-23(2,3)31-22(29)27-9-8-26(18-6-4-5-7-19(18)27)21(28)25-20-16-10-15-11-17(20)14-24(30,12-15)13-16/h4-7,15-17,20,30H,8-14H2,1-3H3,(H,25,28)