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

Systemtic Name: 2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]-1,2-oxaziridine-3-carboxylic acid Openeye Name: 2-[cyclohexyl-[4-(2-quinolylmethoxy)phenyl]methyl]oxaziridine-3-carboxylic acid CAS Name: 2-[cyclohexyl-[4-(2-quinolinylmethoxy)phenyl]methyl]-3-oxaziridinecarboxylic acid IUPAC Name: 2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]oxaziridine-3-carboxylic acid Traditional Name: 2-[cyclohexyl-[4-(2-quinolylmethoxy)phenyl]methyl]oxaziridine-3-carboxylic acid Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)N5C(O5)C(=O)O

Isomeric SMILES

C1CCC(CC1)C(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)N5C(O5)C(=O)O

InChI

InChI=1S/C25H26N2O4/c28-25(29)24-27(31-24)23(18-7-2-1-3-8-18)19-11-14-21(15-12-19)30-16-20-13-10-17-6-4-5-9-22(17)26-20/h4-6,9-15,18,23-24H,1-3,7-8,16H2,(H,28,29)