3-[4,4-bis[4-(quinoxalin-2-ylmethoxy)phenyl]cyclohexyl]-2-methyl-1,2-oxaziridine-3-carboxylic acid

Systemtic Name: 3-[4,4-bis[4-(quinoxalin-2-ylmethoxy)phenyl]cyclohexyl]-2-methyl-1,2-oxaziridine-3-carboxylic acid Openeye Name: 3-[4,4-bis[4-(quinoxalin-2-ylmethoxy)phenyl]cyclohexyl]-2-methyl-oxaziridine-3-carboxylic acid CAS Name: 3-[4,4-bis[4-(2-quinoxalinylmethoxy)phenyl]cyclohexyl]-2-methyl-3-oxaziridinecarboxylic acid IUPAC Name: 3-[4,4-bis[4-(quinoxalin-2-ylmethoxy)phenyl]cyclohexyl]-2-methyloxaziridine-3-carboxylic acid Traditional Name: 3-[4,4-bis[4-(quinoxalin-2-ylmethoxy)phenyl]cyclohexyl]-2-methyl-oxaziridine-3-carboxylic acid Formula: C39H35N5O5 MolecularWeight: 653.7257

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(O1)(C2CCC(CC2)(C3=CC=C(C=C3)OCC4=NC5=CC=CC=C5N=C4)C6=CC=C(C=C6)OCC7=NC8=CC=CC=C8N=C7)C(=O)O

Isomeric SMILES

CN1C(O1)(C2CCC(CC2)(C3=CC=C(C=C3)OCC4=NC5=CC=CC=C5N=C4)C6=CC=C(C=C6)OCC7=NC8=CC=CC=C8N=C7)C(=O)O

InChI

InChI=1S/C39H35N5O5/c1-44-39(49-44,37(45)46)28-18-20-38(21-19-28,26-10-14-31(15-11-26)47-24-29-22-40-33-6-2-4-8-35(33)42-29)27-12-16-32(17-13-27)48-25-30-23-41-34-7-3-5-9-36(34)43-30/h2-17,22-23,28H,18-21,24-25H2,1H3,(H,45,46)