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

Systemtic Name: 3-[2-cycloheptyl-2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]-1,2-oxaziridine-3-carboxylic acid Openeye Name: 3-[2-cycloheptyl-2-[4-(2-quinolylmethoxy)phenyl]ethyl]oxaziridine-3-carboxylic acid CAS Name: 3-[2-cycloheptyl-2-[4-(2-quinolinylmethoxy)phenyl]ethyl]-3-oxaziridinecarboxylic acid IUPAC Name: 3-[2-cycloheptyl-2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]oxaziridine-3-carboxylic acid Traditional Name: 3-[2-cycloheptyl-2-[4-(2-quinolylmethoxy)phenyl]ethyl]oxaziridine-3-carboxylic acid Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C(CC2(NO2)C(=O)O)C3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCCC(CC1)C(CC2(NO2)C(=O)O)C3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H30N2O4/c30-26(31)27(29-33-27)17-24(19-7-3-1-2-4-8-19)20-12-15-23(16-13-20)32-18-22-14-11-21-9-5-6-10-25(21)28-22/h5-6,9-16,19,24,29H,1-4,7-8,17-18H2,(H,30,31)