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

Systemtic Name: 2-[4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]pentyl]-1,2-oxaziridine-3-carboxylic acid Openeye Name: 2-[4,4-bis[4-(2-quinolylmethoxy)phenyl]pentyl]oxaziridine-3-carboxylic acid CAS Name: 2-[4,4-bis[4-(2-quinolinylmethoxy)phenyl]pentyl]-3-oxaziridinecarboxylic acid IUPAC Name: 2-[4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]pentyl]oxaziridine-3-carboxylic acid Traditional Name: 2-[4,4-bis[4-(2-quinolylmethoxy)phenyl]pentyl]oxaziridine-3-carboxylic acid Formula: C39H35N3O5 MolecularWeight: 625.7123

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN1C(O1)C(=O)O)(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6

Isomeric SMILES

CC(CCCN1C(O1)C(=O)O)(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6

InChI

InChI=1S/C39H35N3O5/c1-39(23-6-24-42-37(47-42)38(43)44,29-13-19-33(20-14-29)45-25-31-17-11-27-7-2-4-9-35(27)40-31)30-15-21-34(22-16-30)46-26-32-18-12-28-8-3-5-10-36(28)41-32/h2-5,7-22,37H,6,23-26H2,1H3,(H,43,44)