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

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

CCCCC(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)(C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5)C7(NO7)C(=O)O

Isomeric SMILES

CCCCC(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)(C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5)C7(NO7)C(=O)O

InChI

InChI=1S/C39H35N3O5/c1-2-3-24-38(39(37(43)44)42-47-39,29-14-20-33(21-15-29)45-25-31-18-12-27-8-4-6-10-35(27)40-31)30-16-22-34(23-17-30)46-26-32-19-13-28-9-5-7-11-36(28)41-32/h4-23,42H,2-3,24-26H2,1H3,(H,43,44)