(phenylmethyl) (2S,3R)-2-(8-methoxy-8-oxidanylidene-octyl)-3-octyl-aziridine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,3R)-2-(8-methoxy-8-oxidanylidene-octyl)-3-octyl-aziridine-1-carboxylate Openeye Name: benzyl (2S,3R)-2-(8-methoxy-8-oxo-octyl)-3-octyl-aziridine-1-carboxylate CAS Name: (2S,3R)-2-(8-methoxy-8-oxooctyl)-3-octyl-1-aziridinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3R)-2-(8-methoxy-8-oxooctyl)-3-octylaziridine-1-carboxylate Traditional Name: (2S,3R)-2-(8-keto-8-methoxy-octyl)-3-octyl-ethylenimine-1-carboxylic acid benzyl ester Formula: C27H43NO4 MolecularWeight: 445.63462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(N1C(=O)OCC2=CC=CC=C2)CCCCCCCC(=O)OC

Isomeric SMILES

CCCCCCCC[C@@H]1[C@@H](N1C(=O)OCC2=CC=CC=C2)CCCCCCCC(=O)OC

InChI

InChI=1S/C27H43NO4/c1-3-4-5-6-8-14-19-24-25(20-15-9-7-10-16-21-26(29)31-2)28(24)27(30)32-22-23-17-12-11-13-18-23/h11-13,17-18,24-25H,3-10,14-16,19-22H2,1-2H3/t24-,25+,28?/m1/s1