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

Systemtic Name: 2-[3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclobutyl]-1,2-oxaziridine-3-carboxylic acid Openeye Name: 2-[3,3-bis[4-(2-quinolylmethoxy)phenyl]cyclobutyl]oxaziridine-3-carboxylic acid CAS Name: 2-[3,3-bis[4-(2-quinolinylmethoxy)phenyl]cyclobutyl]-3-oxaziridinecarboxylic acid IUPAC Name: 2-[3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclobutyl]oxaziridine-3-carboxylic acid Traditional Name: 2-[3,3-bis[4-(2-quinolylmethoxy)phenyl]cyclobutyl]oxaziridine-3-carboxylic acid Formula: C38H31N3O5 MolecularWeight: 609.66984

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC1(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6)N8C(O8)C(=O)O

Isomeric SMILES

C1C(CC1(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6)N8C(O8)C(=O)O

InChI

InChI=1S/C38H31N3O5/c42-37(43)36-41(46-36)31-21-38(22-31,27-11-17-32(18-12-27)44-23-29-15-9-25-5-1-3-7-34(25)39-29)28-13-19-33(20-14-28)45-24-30-16-10-26-6-2-4-8-35(26)40-30/h1-20,31,36H,21-24H2,(H,42,43)