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

Systemtic Name: 3-[2-cyclohexyl-1-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]-1,2-oxaziridine-3-carboxylic acid Openeye Name: 3-[2-cyclohexyl-1-[4-(2-quinolylmethoxy)phenyl]ethyl]oxaziridine-3-carboxylic acid CAS Name: 3-[2-cyclohexyl-1-[4-(2-quinolinylmethoxy)phenyl]ethyl]-3-oxaziridinecarboxylic acid IUPAC Name: 3-[2-cyclohexyl-1-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]oxaziridine-3-carboxylic acid Traditional Name: 3-[2-cyclohexyl-1-[4-(2-quinolylmethoxy)phenyl]ethyl]oxaziridine-3-carboxylic acid Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5(NO5)C(=O)O

Isomeric SMILES

C1CCC(CC1)CC(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5(NO5)C(=O)O

InChI

InChI=1S/C26H28N2O4/c29-25(30)26(28-32-26)23(16-18-6-2-1-3-7-18)19-11-14-22(15-12-19)31-17-21-13-10-20-8-4-5-9-24(20)27-21/h4-5,8-15,18,23,28H,1-3,6-7,16-17H2,(H,29,30)