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

Systemtic Name: 2-[4,4-bis[4-(quinoxalin-2-ylmethoxy)phenyl]cyclohexyl]-1,2-oxaziridine-3-carboxylic acid Openeye Name: 2-[4,4-bis[4-(quinoxalin-2-ylmethoxy)phenyl]cyclohexyl]oxaziridine-3-carboxylic acid CAS Name: 2-[4,4-bis[4-(2-quinoxalinylmethoxy)phenyl]cyclohexyl]-3-oxaziridinecarboxylic acid IUPAC Name: 2-[4,4-bis[4-(quinoxalin-2-ylmethoxy)phenyl]cyclohexyl]oxaziridine-3-carboxylic acid Traditional Name: 2-[4,4-bis[4-(quinoxalin-2-ylmethoxy)phenyl]cyclohexyl]oxaziridine-3-carboxylic acid Formula: C38H33N5O5 MolecularWeight: 639.69912

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2C(O2)C(=O)O)(C3=CC=C(C=C3)OCC4=NC5=CC=CC=C5N=C4)C6=CC=C(C=C6)OCC7=NC8=CC=CC=C8N=C7

Isomeric SMILES

C1CC(CCC1N2C(O2)C(=O)O)(C3=CC=C(C=C3)OCC4=NC5=CC=CC=C5N=C4)C6=CC=C(C=C6)OCC7=NC8=CC=CC=C8N=C7

InChI

InChI=1S/C38H33N5O5/c44-37(45)36-43(48-36)29-17-19-38(20-18-29,25-9-13-30(14-10-25)46-23-27-21-39-32-5-1-3-7-34(32)41-27)26-11-15-31(16-12-26)47-24-28-22-40-33-6-2-4-8-35(33)42-28/h1-16,21-22,29,36H,17-20,23-24H2,(H,44,45)