methyl (2R,3R)-1-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-butyl-3-hex-1-ynyl-aziridine-2-carboxylate

Systemtic Name: methyl (2R,3R)-1-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-butyl-3-hex-1-ynyl-aziridine-2-carboxylate Openeye Name: methyl (2R,3R)-3-butyl-1-(1,3-dioxoisoindolin-2-yl)-3-hex-1-ynyl-aziridine-2-carboxylate CAS Name: (2R,3R)-3-butyl-1-(1,3-dioxo-2-isoindolyl)-3-hex-1-ynyl-2-aziridinecarboxylic acid methyl ester IUPAC Name: methyl (2R,3R)-3-butyl-1-(1,3-dioxoisoindol-2-yl)-3-hex-1-ynylaziridine-2-carboxylate Traditional Name: (2R,3R)-3-butyl-3-hex-1-ynyl-1-phthalimido-ethylenimine-2-carboxylic acid methyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1(C(N1N2C(=O)C3=CC=CC=C3C2=O)C(=O)OC)CCCC

Isomeric SMILES

CCCCC#C[C@@]1([C@@H](N1N2C(=O)C3=CC=CC=C3C2=O)C(=O)OC)CCCC

InChI

InChI=1S/C22H26N2O4/c1-4-6-8-11-15-22(14-7-5-2)18(21(27)28-3)24(22)23-19(25)16-12-9-10-13-17(16)20(23)26/h9-10,12-13,18H,4-8,14H2,1-3H3/t18-,22+,24?/m0/s1